A0A077Z9Z1_TRITR Loading...

SWI:SNF matrix associated

AlphaFold DB , UniProt , Accession A0A077Z9Z1, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 682 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	30.8	Very low	35.3	Very low	226 Å²	226	127.5 Å²	127.5	100%	1.113	65%	0.65	S	S	*	*				0	90.1	0	-72.7	165.4	169.8	0	0	108
2	Q	29.5	Very low	36	Very low	192 Å²	192	130.9 Å²	130.9	90%	0.897	65%	0.648	S	S	*	*			trans	-98.4	92.9	155.1	-84.4	-176.7	-11.3	0	0	104	V4	Q2-V4 VanDerWaalsContact C-N 3.26Å; Q2-V4 PolarHBondContact O-N 3.09Å
3	D	27.8	Very low	36.8	Very low	146 Å²	146	121.3 Å²	121.3	78%	0.781	60%	0.601	S	S	*	*			trans	-59.4	98.3	168.8	-75.2	-37.8	0	0	0	106.9	S5	D3-S5 PolarHBondContact O-N 3.15Å
4	V	34.9	Very low	37.7	Very low	126 Å²	126	117.7 Å²	117.7	76%	0.764	58%	0.577	S	S	*	*			trans	-65.6	92.5	159	179.9	0	0	0	0	103.7	Q2 Y6	Q2-V4 VanDerWaalsContact C-N 3.26Å; Q2-V4 PolarHBondContact O-N 3.09Å; V4-Y6 VanDerWaalsContact C-N 3.3Å; V4-Y6 PolarHBondContact O-N 2.94Å
5	S	31.9	Very low	38.4	Very low	84 Å²	84	111.9 Å²	111.9	59%	0.587	55%	0.552	S	S	*	*			trans	-49.8	103.7	168.9	53.4	0	0	0	0	107.3	D3 N7	D3-S5 PolarHBondContact O-N 3.15Å; S5-N7 VanDerWaalsContact C-N 3.3Å; S5-N7 PolarHBondContact O-N 2.98Å
6	Y	33.8	Very low	39.3	Very low	173 Å²	173	109.4 Å²	109.4	68%	0.678	54%	0.538	S	S	*	.			trans	-65.1	96.4	176.6	-159.9	-95.1	0	0	0	105.3	V4 Q8	V4-Y6 VanDerWaalsContact C-N 3.3Å; V4-Y6 PolarHBondContact O-N 2.94Å; Y6-Q8 PolarHBondContact O-N 2.9Å
7	N	38.1	Very low	40	Very low	99 Å²	99	106.2 Å²	106.2	53%	0.529	53%	0.527	S	S	.	.			trans	-66.6	116.1	-165.8	-91.8	-49.6	0	0	0	111.3	S5 N9 I10	S5-N7 VanDerWaalsContact C-N 3.3Å; S5-N7 PolarHBondContact O-N 2.98Å; N7-N9 PolarHBondContact O-N 2.96Å; N7-I10 PolarHBondContact O-N 2.83Å; N7-I10 VanDerWaalsContact O-N 3.13Å
8	Q	39.2	Very low	40.5	Very low	157 Å²	157	104.2 Å²	104.2	73%	0.734	52%	0.518	S	S	*	.	T	Hydrogen-bonded Turn	trans	-48.8	-14.2	178.6	-69	177.8	-14.3	0	0	115.9	Y6	Y6-Q8 PolarHBondContact O-N 2.9Å
9	N	42.4	Very low	40.9	Very low	96 Å²	96	101.6 Å²	101.6	51%	0.513	50%	0.503	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.3	-25.8	179.4	-71.9	-28.6	0	0	0	113.6	N7 D11	N7-N9 PolarHBondContact O-N 2.96Å; N9-D11 PolarHBondContact O-N 2.76Å
10	I	40.6	Very low	40.8	Very low	39 Å²	39	102.5 Å²	102.5	20%	0.2	51%	0.51	C	S	.	.	G	3₁₀ helix	trans	-68.7	-24.8	177.7	-60.7	177.6	0	0	0	110.7	N7 R12 L13 A152 K178	N7-I10 PolarHBondContact O-N 2.83Å; N7-I10 VanDerWaalsContact O-N 3.13Å; I10-R12 VanDerWaalsContact C-N 3.28Å; I10-R12 PolarHBondContact O-N 3.02Å; I10-L13 HydrophobicContact CG2-CD1 4.42Å; I10-L13 WeakPolarHBondContact O-CG 3.47Å; I10-A152 HydrophobicContact CG2-CB 4.43Å; I10-A152 WeakPolarHBondContact O-CA 3.43Å; I10-K178 HydrophobicContact CD1-CG 4.04Å; I10-K178 HydrophobicContact CG1-CG 4.27Å
11	D	39.4	Very low	40.6	Very low	65 Å²	65	106.5 Å²	106.5	35%	0.348	53%	0.525	S	S	.	.	G	3₁₀ helix	trans	-72.4	-17.1	-174.5	-62.2	-31.9	0	0	0	113.7	N9 K150	N9-D11 PolarHBondContact O-N 2.76Å; D11-K150 WeakPolarHBondContact O-CB 3.4Å
12	R	43.2	Very low	40.5	Very low	168 Å²	168	101.1 Å²	101.1	63%	0.634	51%	0.506	S	S	*	.	G	3₁₀ helix	trans	-93.5	8.5	-173.3	-61.2	-172.9	-179.7	-165.7	0.5	115.3	I10 K150	I10-R12 VanDerWaalsContact C-N 3.28Å; I10-R12 PolarHBondContact O-N 3.02Å; R12-K150 HydrophobicContact CG-CD 4.24Å
13	L	47.1	Very low	40.3	Very low	6 Å²	6	97.4 Å²	97.4	3%	0.031	50%	0.496	C	S	.	.			trans	-80.5	141	-173.3	-59.2	172.3	0	0	0	112.5	I10 E127 F129 S151 L177	I10-L13 HydrophobicContact CG2-CD1 4.42Å; I10-L13 WeakPolarHBondContact O-CG 3.47Å; L13-E127 WeakPolarHBondContact CA-O 3.23Å; L13-E127 WeakPolarHBondContact CD2-O 3.38Å; L13-F129 HydrophobicContact CB-CE1 4.29Å; L13-S151 CarbonylContact O-C 3.57Å; L13-S151 PolarHBondContact O-N 3.42Å; L13-L177 HydrophobicContact CD1-CD1 4.17Å; L13-L177 HydrophobicContact CD2-CD2 3.8Å
14	R	48.8	Very low	40	Very low	71 Å²	71	100.4 Å²	100.4	27%	0.268	50%	0.503	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	129.8	172.9	-77.8	-165.9	-179.9	-177.4	4.1	112.2	M29 F129 K148 E149	R14-M29 HydrophobicContact CG-CE 4.48Å; R14-F129 PolarHBondContact O-N 3.21Å; R14-K148 PolarHBondContact NE-O 2.76Å; R14-E149 PolarHBondContact NE-O 3.04Å
15	P	48	Very low	39.5	Very low	31 Å²	31	100 Å²	100	20%	0.201	50%	0.5	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.6	131	167.8	30.3	-30.8	0	0	0	111.4	F129 V131 M146 S151	P15-F129 WeakPolarHBondContact CA-O 3.41Å; P15-F129 HydrophobicContact CB-CE1 4.35Å; P15-F129 HydrophobicContact CB-CE2 3.88Å; P15-F129 HydrophobicContact CB-CZ 3.76Å; P15-F129 HydrophobicContact CG-CZ 4.47Å; P15-V131 HydrophobicContact CB-CG2 4.15Å; P15-M146 HydrophobicContact CG-SD 4.49Å; P15-S151 WeakPolarHBondContact CD-OG 3.49Å; P15-S151 VanDerWaalsContact CG-OG 3.25Å; P15-S151 WeakPolarHBondContact CG-OG 3.44Å
16	E	53.8	Low	39.1	Very low	71 Å²	71	107 Å²	107	33%	0.332	51%	0.514	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	126.8	160.2	-77.9	-172.9	-167	0	0	109.7	K124 F129 E130 V131	E16-K124 IonicContact OE1-NZ 2.63Å; E16-K124 PolarHBondContact OE1-NZ 3.43Å; E16-K124 IonicContact OE2-NZ 3.22Å; E16-K124 PolarHBondContact OE2-NZ 3.23Å; E16-F129 PolarHBondContact N-O 3.22Å; E16-E130 CarbonylContact O-C 3.59Å; E16-E130 WeakPolarHBondContact O-CA 3.47Å; E16-V131 PolarHBondContact O-N 3.46Å
17	V	51.1	Low	38.7	Very low	56 Å²	56	103.8 Å²	103.8	34%	0.339	51%	0.512	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	115.6	-176.4	-174.9	0	0	0	0	109.4	F19 F143	V17-F19 HydrophobicContact CG1-CD2 4.18Å; V17-F19 HydrophobicContact CG1-CE1 4.25Å; V17-F19 HydrophobicContact CG1-CE2 3.48Å; V17-F19 VanDerWaalsContact CG1-CE2 3.48Å; V17-F19 HydrophobicContact CG1-CZ 3.52Å; V17-F143 HydrophobicContact CB-CG 4.37Å; V17-F143 HydrophobicContact CG1-CB 4.29Å; V17-F143 HydrophobicContact CG1-CD1 4.34Å; V17-F143 HydrophobicContact CG1-CD2 3.67Å; V17-F143 HydrophobicContact CG1-CE2 4.11Å; V17-F143 HydrophobicContact CG1-CG 3.85Å; V17-F143 HydrophobicContact CG2-CB 3.98Å; V17-F143 HydrophobicContact CG2-CD1 3.36Å; V17-F143 HydrophobicContact CG2-CD2 4.22Å; V17-F143 HydrophobicContact CG2-CE1 3.89Å; V17-F143 HydrophobicContact CG2-CG 3.59Å
18	N	48.8	Very low	38	Very low	69 Å²	69	107.6 Å²	107.6	37%	0.369	53%	0.526	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	101.1	-179.4	-169.4	-3	0	0	0	109.8	E130 V131 L132	N18-E130 HydrophobicContact CB-CG 4.41Å; N18-E130 WeakPolarHBondContact CB-OE1 3.1Å; N18-E130 PolarHBondContact ND2-OE1 2.87Å; N18-V131 PolarHBondContact N-O 2.92Å; N18-L132 HydrophobicContact CB-CD2 4.26Å
19	F	48.7	Very low	37.4	Very low	56 Å²	56	105.9 Å²	105.9	25%	0.246	52%	0.52	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79	122.9	165.8	-57.1	-75.1	0	0	0	107	V17 K21 V140 F143	V17-F19 HydrophobicContact CG1-CD2 4.18Å; V17-F19 HydrophobicContact CG1-CE1 4.25Å; V17-F19 HydrophobicContact CG1-CE2 3.48Å; V17-F19 VanDerWaalsContact CG1-CE2 3.48Å; V17-F19 HydrophobicContact CG1-CZ 3.52Å; F19-K21 VanDerWaalsContact C-N 3.32Å; F19-K21 PolarHBondContact O-N 2.91Å; F19-V140 HydrophobicContact CD1-CG2 4.27Å; F19-V140 HydrophobicContact CE1-CG2 3.62Å; F19-V140 HydrophobicContact CE2-CG2 3.9Å; F19-V140 HydrophobicContact CZ-CB 4.09Å; F19-V140 HydrophobicContact CZ-CG2 3.42Å; F19-V140 VanDerWaalsContact CZ-CG2 3.42Å; F19-F143 HydrophobicContact CZ-CD2 4.1Å
20	N	37.8	Very low	36.6	Very low	119 Å²	119	107.7 Å²	107.7	64%	0.636	54%	0.535	S	S	*	.	S	Bend	trans	-38.4	86.3	-176.7	-87.1	-35.7	0	0	0	114.1	D134	N20-D134 PolarHBondContact ND2-OD1 2.91Å
21	K	36.4	Very low	35.9	Very low	187 Å²	187	113 Å²	113	81%	0.813	56%	0.563	S	S	*	*	S	Bend	trans	58.4	149.6	174.7	-65.4	-176	179.6	179.7	0	119.7	F19	F19-K21 VanDerWaalsContact C-N 3.32Å; F19-K21 PolarHBondContact O-N 2.91Å
22	P	29.7	Very low	35.5	Very low	112 Å²	112	116.6 Å²	116.6	73%	0.727	58%	0.582	S	S	*	*			cis	-128.4	117.4	-30.1	34.8	-15.9	0	0	0	112.4
23	V	24	Very low	35.2	Very low	114 Å²	114	116.1 Å²	116.1	69%	0.691	59%	0.592	S	S	*	*			trans	-136.3	107.8	143.6	-177.5	0	0	0	0	106.5	V25	V23-V25 HydrophobicContact CG1-CG2 3.98Å; V23-V25 PolarHBondContact O-N 3.14Å
24	K	22	Very low	34.2	Very low	210 Å²	210	123.5 Å²	123.5	91%	0.913	63%	0.632	S	S	*	*			trans	-69.5	116.5	169.7	-75.4	178.3	175.1	178.7	0	107.3
25	V	24.1	Very low	33.2	Very low	117 Å²	117	127.9 Å²	127.9	71%	0.709	66%	0.66	S	S	*	*			trans	-120.8	116.8	159.5	-174.8	0	0	0	0	107.5	V23 V27	V23-V25 HydrophobicContact CG1-CG2 3.98Å; V23-V25 PolarHBondContact O-N 3.14Å; V25-V27 HydrophobicContact CG1-CG2 4.23Å
26	R	24.5	Very low	32.1	Very low	231 Å²	231	137.8 Å²	137.8	87%	0.872	69%	0.693	S	S	*	*			trans	-104.6	120.7	-176.9	-158.9	-175.6	-157.7	-174.2	3.6	106.1
27	V	25.2	Very low	30.8	Very low	106 Å²	106	142.4 Å²	142.4	64%	0.642	72%	0.715	S	S	*	*			trans	-139	118.3	169.4	-176.6	0	0	0	0	108.3	V25	V25-V27 HydrophobicContact CG1-CG2 4.23Å
28	Q	23.8	Very low	29.7	Very low	178 Å²	178	144.5 Å²	144.5	83%	0.832	74%	0.738	S	S	*	*	P	Polyproline II helix	trans	-87	152.6	172.3	-78.3	172.3	-46.7	0	0	109.9
29	M	26.1	Very low	28.5	Very low	121 Å²	121	151.8 Å²	151.8	60%	0.596	76%	0.76	S	S	*	*	P	Polyproline II helix	trans	-93.4	132.3	168.1	-68.8	-79.5	-134.1	0	0	108.9	R14	R14-M29 HydrophobicContact CG-CE 4.48Å
30	T	24.8	Very low	27.6	Very low	135 Å²	135	154.8 Å²	154.8	83%	0.828	78%	0.783	S	S	*	*	P	Polyproline II helix	trans	-85.8	139.4	161.2	41.7	0	0	0	0	108.9
31	N	27.3	Very low	27	Very low	149 Å²	149	158 Å²	158	80%	0.797	80%	0.796	S	S	*	*	P	Polyproline II helix	trans	-74.1	139.3	167.5	-73.2	-15.5	0	0	0	108.8
32	D	29.6	Very low	27	Very low	141 Å²	141	155.1 Å²	155.1	75%	0.754	79%	0.794	S	S	*	*	S	Bend	trans	67.4	117.3	165.6	-60.6	-32.4	0	0	0	119.6	D34	D32-D34 VanDerWaalsContact C-N 3.35Å; D32-D34 PolarHBondContact O-N 3.11Å
33	D	37.7	Very low	27.5	Very low	158 Å²	158	154.6 Å²	154.6	85%	0.845	79%	0.785	S	S	*	*	S	Bend	trans	47.9	-1.1	145.3	-72.6	-13.6	0	0	0	124.3	L35	D33-L35 PolarHBondContact O-N 3.32Å
34	D	26.6	Very low	28.5	Very low	162 Å²	162	152.8 Å²	152.8	87%	0.866	77%	0.774	S	S	*	*			trans	-96.4	88	172.5	-79.9	-29	0	0	0	113.3	D32 R36	D32-D34 VanDerWaalsContact C-N 3.35Å; D32-D34 PolarHBondContact O-N 3.11Å; D34-R36 PolarHBondContact O-N 3.36Å
35	L	27.3	Very low	30.3	Very low	163 Å²	163	150.5 Å²	150.5	85%	0.853	77%	0.767	S	S	*	*			trans	-58.1	114	156.8	-82.4	155.3	0	0	0	110	D33	D33-L35 PolarHBondContact O-N 3.32Å
36	R	25.3	Very low	31.9	Very low	238 Å²	238	152.5 Å²	152.5	90%	0.898	77%	0.768	S	S	*	*			trans	-176.9	119.8	136.3	-95.9	152.9	-161	-140.6	8	112.8	D34	D34-R36 PolarHBondContact O-N 3.36Å
37	E	26.3	Very low	33.4	Very low	168 Å²	168	145.9 Å²	145.9	79%	0.785	75%	0.748	S	S	*	*			trans	54.7	81.8	151.3	-59.9	-167.3	167.6	0	0	120.3	R39	E37-R39 PolarHBondContact O-N 2.98Å
38	A	26.8	Very low	35.2	Very low	100 Å²	100	149.5 Å²	149.5	83%	0.826	75%	0.75	S	S	*	*			trans	-89.6	93.6	155.5	0	0	0	0	0	110.5	V40	A38-V40 PolarHBondContact O-N 3.41Å
39	R	25	Very low	37.5	Very low	222 Å²	222	146.2 Å²	146.2	84%	0.838	74%	0.737	S	S	*	*			trans	-63.1	112.2	171.4	-82.9	-178.8	173.9	-172.8	-2.2	110.5	E37 M41	E37-R39 PolarHBondContact O-N 2.98Å; R39-M41 PolarHBondContact O-N 3.09Å
40	V	29.6	Very low	39.6	Very low	120 Å²	120	149.5 Å²	149.5	73%	0.727	74%	0.743	S	S	*	*			trans	-72.5	106.2	168.5	177.6	0	0	0	0	108.1	A38 V42	A38-V40 PolarHBondContact O-N 3.41Å; V40-V42 PolarHBondContact O-N 3.26Å; V40-V42 VanDerWaalsContact O-N 3.11Å
41	M	25.3	Very low	41.5	Very low	185 Å²	185	147.7 Å²	147.7	91%	0.911	73%	0.726	S	S	*	*			trans	-68.5	108.1	169.2	-74.1	-135.1	-121.4	0	0	109.4	R39	R39-M41 PolarHBondContact O-N 3.09Å
42	V	37	Very low	43.7	Very low	127 Å²	127	146.2 Å²	146.2	77%	0.77	71%	0.714	S	S	*	*	P	Polyproline II helix	trans	-67	132.1	168.7	-179.2	0	0	0	0	107.9	V40 T44	V40-V42 PolarHBondContact O-N 3.26Å; V40-V42 VanDerWaalsContact O-N 3.11Å; V42-T44 PolarHBondContact O-N 3.45Å
43	L	39.5	Very low	45.8	Very low	101 Å²	101	142.7 Å²	142.7	53%	0.529	70%	0.701	S	S	.	*	P	Polyproline II helix	trans	-53	133.3	174.5	-69	162.6	0	0	0	109.8	M51	L43-M51 HydrophobicContact CD1-CE 4.14Å
44	T	44.5	Very low	47.7	Very low	76 Å²	76	140 Å²	140	47%	0.466	69%	0.686	S	S	.	*	P	Polyproline II helix	trans	-66	154	178.2	61.9	0	0	0	0	110.6	V42 E46 Q47 R48	V42-T44 PolarHBondContact O-N 3.45Å; T44-E46 PolarHBondContact O-N 3.43Å; T44-Q47 WeakPolarHBondContact O-CB 3.42Å; T44-Q47 PolarHBondContact O-N 3.13Å; T44-Q47 WeakPolarHBondContact OG1-CG 3.47Å; T44-R48 PolarHBondContact O-N 3.27Å
45	E	59.3	Low	50.1	Low	163 Å²	163	140.1 Å²	140.1	76%	0.762	68%	0.675	S	S	*	*	H	α-helix	trans	-58.4	-35.5	-176.5	-157.2	166.8	-158.2	0	0	112.3	Q47 R48 L49	E45-Q47 PolarHBondContact O-N 3.11Å; E45-R48 WeakPolarHBondContact O-CB 3.37Å; E45-R48 PolarHBondContact O-N 3.13Å; E45-L49 WeakPolarHBondContact O-CG 3.45Å; E45-L49 PolarHBondContact O-N 3.11Å
46	E	59.5	Low	52.4	Low	158 Å²	158	141.5 Å²	141.5	74%	0.738	67%	0.669	S	S	*	*	H	α-helix	trans	-58.4	-43.1	171.8	-76.4	-171.3	145.7	0	0	113.3	T44 R48 L49 R50	T44-E46 PolarHBondContact O-N 3.43Å; E46-R48 VanDerWaalsContact C-N 3.27Å; E46-R48 PolarHBondContact O-N 3.34Å; E46-L49 PolarHBondContact O-N 3.29Å; E46-R50 WeakPolarHBondContact O-CB 3.5Å; E46-R50 PolarHBondContact O-N 3.2Å
47	Q	54.7	Low	54.8	Low	93 Å²	93	132.7 Å²	132.7	44%	0.435	64%	0.641	S	S	.	*	H	α-helix	trans	-65.2	-35.4	179.9	-69.9	172.6	-16.1	0	0	111.1	T44 E45 M51	T44-Q47 WeakPolarHBondContact O-CB 3.42Å; T44-Q47 PolarHBondContact O-N 3.13Å; T44-Q47 WeakPolarHBondContact OG1-CG 3.47Å; E45-Q47 PolarHBondContact O-N 3.11Å; Q47-M51 PolarHBondContact O-N 3.45Å
48	R	62.8	Low	56.9	Low	181 Å²	181	127 Å²	127	68%	0.683	62%	0.624	S	S	*	*	H	α-helix	trans	-67.5	-46	176.5	-165.1	177.6	179.5	179.4	-1.7	111.5	T44 E45 E46 R50 M51 E52	T44-R48 PolarHBondContact O-N 3.27Å; E45-R48 WeakPolarHBondContact O-CB 3.37Å; E45-R48 PolarHBondContact O-N 3.13Å; E46-R48 VanDerWaalsContact C-N 3.27Å; E46-R48 PolarHBondContact O-N 3.34Å; R48-R50 VanDerWaalsContact C-N 3.34Å; R48-R50 PolarHBondContact O-N 3Å; R48-M51 PolarHBondContact O-N 3.26Å; R48-E52 PolarHBondContact O-N 3.45Å
49	L	73	Confident	59.3	Low	109 Å²	109	126.3 Å²	126.3	57%	0.571	61%	0.606	S	S	*	*	H	α-helix	trans	-62.6	-39.3	177.1	-70.9	170.5	0	0	0	112.2	E45 E46 M51 E52 S53	E45-L49 WeakPolarHBondContact O-CG 3.45Å; E45-L49 PolarHBondContact O-N 3.11Å; E46-L49 PolarHBondContact O-N 3.29Å; L49-M51 PolarHBondContact O-N 3.31Å; L49-E52 PolarHBondContact O-N 2.98Å; L49-S53 PolarHBondContact O-N 3.4Å
50	R	70	Confident	61.5	Low	190 Å²	190	121.4 Å²	121.4	72%	0.717	59%	0.592	S	S	*	*	H	α-helix	trans	-63.6	-39.1	177.8	-166.5	174.8	-177	179.4	1.2	112.5	E46 R48 N54	E46-R50 WeakPolarHBondContact O-CB 3.5Å; E46-R50 PolarHBondContact O-N 3.2Å; R48-R50 VanDerWaalsContact C-N 3.34Å; R48-R50 PolarHBondContact O-N 3Å; R50-N54 PolarHBondContact O-N 2.98Å; R50-N54 VanDerWaalsContact O-N 3.13Å
51	M	64.3	Low	63.5	Low	97 Å²	97	124.5 Å²	124.5	48%	0.478	59%	0.591	S	S	.	*	H	α-helix	trans	-66.1	-41.1	175.4	-80.2	-168.7	-73.3	0	0	112.5	L43 Q47 R48 L49 N54 R55	L43-M51 HydrophobicContact CD1-CE 4.14Å; Q47-M51 PolarHBondContact O-N 3.45Å; R48-M51 PolarHBondContact O-N 3.26Å; L49-M51 PolarHBondContact O-N 3.31Å; M51-N54 PolarHBondContact O-N 3.4Å; M51-R55 PolarHBondContact O-N 3.05Å; M51-R55 VanDerWaalsContact O-N 3.08Å
52	E	73	Confident	65.7	Low	118 Å²	118	121.4 Å²	121.4	55%	0.551	58%	0.577	S	S	*	*	H	α-helix	trans	-65	-40.6	177.5	-109	178.9	171.2	0	0	112.7	R48 L49 R55 R56	R48-E52 PolarHBondContact O-N 3.45Å; L49-E52 PolarHBondContact O-N 2.98Å; E52-R55 PolarHBondContact O-N 3.36Å; E52-R56 PolarHBondContact O-N 3.36Å; E52-R56 VanDerWaalsContact O-N 3.11Å
53	S	75.4	Confident	67.2	Low	68 Å²	68	123.5 Å²	123.5	48%	0.476	58%	0.576	S	S	.	*	H	α-helix	trans	-59.1	-50.5	174.1	-178.9	0	0	0	0	111.5	L49 R55 R56 T57	L49-S53 PolarHBondContact O-N 3.4Å; S53-R55 VanDerWaalsContact C-N 3.28Å; S53-R55 PolarHBondContact O-N 3.27Å; S53-R56 PolarHBondContact O-N 3.23Å; S53-R56 VanDerWaalsContact O-N 3.13Å; S53-T57 PolarHBondContact O-N 2.96Å; S53-T57 VanDerWaalsContact O-N 3.09Å; S53-T57 PolarHBondContact O-OG1 3.01Å; S53-T57 VanDerWaalsContact O-OG1 3.11Å
54	N	77.2	Confident	68	Low	100 Å²	100	125.6 Å²	125.6	54%	0.535	58%	0.583	S	S	.	*	H	α-helix	trans	-59	-38.7	178.3	-73.8	-15.9	0	0	0	112.6	R50 M51 T57 A58	R50-N54 PolarHBondContact O-N 2.98Å; R50-N54 VanDerWaalsContact O-N 3.13Å; M51-N54 PolarHBondContact O-N 3.4Å; N54-T57 PolarHBondContact O-N 3.36Å; N54-A58 PolarHBondContact O-N 3.12Å
55	R	75.5	Confident	68.4	Low	165 Å²	165	126 Å²	126	62%	0.623	59%	0.593	S	S	*	*	H	α-helix	trans	-63.9	-42.3	177.2	-163.1	-175.3	84.8	101.4	-2.9	111.9	M51 E52 S53 A58 L59	M51-R55 PolarHBondContact O-N 3.05Å; M51-R55 VanDerWaalsContact O-N 3.08Å; E52-R55 PolarHBondContact O-N 3.36Å; S53-R55 VanDerWaalsContact C-N 3.28Å; S53-R55 PolarHBondContact O-N 3.27Å; R55-A58 PolarHBondContact O-N 3.13Å; R55-L59 WeakPolarHBondContact O-CG 3.37Å; R55-L59 PolarHBondContact O-N 3.42Å; R55-L59 VanDerWaalsContact O-N 3.14Å
56	R	75.9	Confident	67.5	Low	192 Å²	192	123.7 Å²	123.7	73%	0.725	59%	0.591	S	S	*	*	H	α-helix	trans	-62.3	-44.6	175.9	-83.5	-177.5	173.5	164.4	0.4	111.7	E52 S53 A58 L59 Q60	E52-R56 PolarHBondContact O-N 3.36Å; E52-R56 VanDerWaalsContact O-N 3.11Å; S53-R56 PolarHBondContact O-N 3.23Å; S53-R56 VanDerWaalsContact O-N 3.13Å; R56-A58 PolarHBondContact O-N 3.29Å; R56-L59 PolarHBondContact O-N 3.3Å; R56-Q60 PolarHBondContact O-N 3.35Å
57	T	76.5	Confident	66.4	Low	53 Å²	53	123.5 Å²	123.5	33%	0.325	59%	0.594	S	S	.	*	H	α-helix	trans	-62.2	-41.5	178.7	-50.3	0	0	0	0	112	S53 N54 Q60 R61	S53-T57 PolarHBondContact O-N 2.96Å; S53-T57 VanDerWaalsContact O-N 3.09Å; S53-T57 PolarHBondContact O-OG1 3.01Å; S53-T57 VanDerWaalsContact O-OG1 3.11Å; N54-T57 PolarHBondContact O-N 3.36Å; T57-Q60 PolarHBondContact O-N 3.04Å; T57-R61 WeakPolarHBondContact O-CG 3.46Å; T57-R61 PolarHBondContact O-N 3.14Å
58	A	70.1	Confident	65.4	Low	50 Å²	50	124.8 Å²	124.8	41%	0.413	61%	0.61	S	S	.	*	H	α-helix	trans	-63.4	-41.6	176.5	0	0	0	0	0	112.4	N54 R55 R56 R61 L62	N54-A58 PolarHBondContact O-N 3.12Å; R55-A58 PolarHBondContact O-N 3.13Å; R56-A58 PolarHBondContact O-N 3.29Å; A58-R61 PolarHBondContact O-N 3.08Å; A58-L62 PolarHBondContact O-N 3.24Å; A58-L62 VanDerWaalsContact O-N 3.13Å
59	L	76.9	Confident	63.8	Low	85 Å²	85	122.2 Å²	122.2	45%	0.445	62%	0.619	S	S	.	*	H	α-helix	trans	-67.1	-36.1	176.6	-73.7	168.8	0	0	0	112.6	R55 R56 L62 K63	R55-L59 WeakPolarHBondContact O-CG 3.37Å; R55-L59 PolarHBondContact O-N 3.42Å; R55-L59 VanDerWaalsContact O-N 3.14Å; R56-L59 PolarHBondContact O-N 3.3Å; L59-L62 PolarHBondContact O-N 3.34Å; L59-K63 PolarHBondContact O-N 3.17Å; L59-K63 VanDerWaalsContact O-N 3.12Å
60	Q	72.5	Confident	61.8	Low	119 Å²	119	121.7 Å²	121.7	56%	0.556	63%	0.63	S	S	*	*	H	α-helix	trans	-63.9	-44.3	172.6	-85.3	178.9	-23.8	0	0	111.7	R56 T57 L62 K63 H64	R56-Q60 PolarHBondContact O-N 3.35Å; T57-Q60 PolarHBondContact O-N 3.04Å; Q60-L62 VanDerWaalsContact C-N 3.27Å; Q60-L62 PolarHBondContact O-N 3.06Å; Q60-K63 PolarHBondContact O-N 3.45Å; Q60-K63 VanDerWaalsContact O-N 3.11Å; Q60-H64 PolarHBondContact O-CD2 3.11Å; Q60-H64 PolarHBondContact O-N 3.03Å
61	R	71.4	Confident	59.8	Low	184 Å²	184	122 Å²	122	69%	0.694	64%	0.637	S	S	*	*	H	α-helix	trans	-57.9	-40.4	175.9	-73.8	177.9	177	160.7	-0.2	112.3	T57 A58 H64 A65	T57-R61 WeakPolarHBondContact O-CG 3.46Å; T57-R61 PolarHBondContact O-N 3.14Å; A58-R61 PolarHBondContact O-N 3.08Å; R61-H64 PolarHBondContact O-N 3.02Å; R61-A65 WeakPolarHBondContact O-CB 3.46Å; R61-A65 PolarHBondContact O-N 3.22Å
62	L	69.8	Low	58.1	Low	121 Å²	121	123.4 Å²	123.4	63%	0.634	65%	0.653	S	S	*	*	H	α-helix	trans	-64.3	-39	175.8	-106.1	150.5	0	0	0	112.8	A58 L59 Q60 T66	A58-L62 PolarHBondContact O-N 3.24Å; A58-L62 VanDerWaalsContact O-N 3.13Å; L59-L62 PolarHBondContact O-N 3.34Å; Q60-L62 VanDerWaalsContact C-N 3.27Å; Q60-L62 PolarHBondContact O-N 3.06Å; L62-T66 PolarHBondContact O-OG1 3.2Å
63	K	69	Low	55.7	Low	170 Å²	170	125.5 Å²	125.5	74%	0.739	67%	0.668	S	S	*	*	H	α-helix	trans	-66.1	-39.7	174.9	-73.6	-176.7	177.8	-174.7	0	112.2	L59 Q60	L59-K63 PolarHBondContact O-N 3.17Å; L59-K63 VanDerWaalsContact O-N 3.12Å; Q60-K63 PolarHBondContact O-N 3.45Å; Q60-K63 VanDerWaalsContact O-N 3.11Å
64	H	57.6	Low	53.5	Low	146 Å²	146	129.2 Å²	129.2	68%	0.676	69%	0.688	S	S	*	*	H	α-helix	trans	-77.9	-22.7	179.9	-72.3	-69.6	0	0	0	114.2	Q60 R61 T66	Q60-H64 PolarHBondContact O-CD2 3.11Å; Q60-H64 PolarHBondContact O-N 3.03Å; R61-H64 PolarHBondContact O-N 3.02Å; H64-T66 PolarHBondContact O-N 3.31Å
65	A	52.9	Low	51	Low	83 Å²	83	133.4 Å²	133.4	69%	0.686	70%	0.701	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.4	-9.9	178.1	0	0	0	0	0	113.9	R61 L67	R61-A65 WeakPolarHBondContact O-CB 3.46Å; R61-A65 PolarHBondContact O-N 3.22Å; A65-L67 VanDerWaalsContact C-N 3.35Å; A65-L67 PolarHBondContact O-N 2.96Å
66	T	38.8	Very low	48.6	Very low	115 Å²	115	131.8 Å²	131.8	71%	0.706	71%	0.709	S	S	*	*			trans	-93.9	63	-178.8	-35.1	0	0	0	0	110.3	L62 H64	L62-T66 PolarHBondContact O-OG1 3.2Å; H64-T66 PolarHBondContact O-N 3.31Å
67	L	36.1	Very low	46.2	Very low	155 Å²	155	129.5 Å²	129.5	81%	0.812	72%	0.716	S	S	*	*			trans	-87.2	126.1	166.3	-79.8	167.8	0	0	0	109.2	A65	A65-L67 VanDerWaalsContact C-N 3.35Å; A65-L67 PolarHBondContact O-N 2.96Å
68	P	35.2	Very low	43.7	Very low	119 Å²	119	130 Å²	130	77%	0.773	73%	0.733	S	S	*	*			trans	-78.4	127.8	-171	28.8	-32	0	0	0	112.1	A70	P68-A70 PolarHBondContact O-N 2.96Å
69	C	29.4	Very low	41.5	Very low	127 Å²	127	133.8 Å²	133.8	86%	0.858	75%	0.751	S	S	*	*			trans	-71	114.9	176.6	-150.3	0	0	0	0	110
70	A	29.2	Very low	38.7	Very low	98 Å²	98	135.3 Å²	135.3	81%	0.81	76%	0.763	S	S	*	*			trans	-65.4	138.3	177.4	0	0	0	0	0	111.6	P68	P68-A70 PolarHBondContact O-N 2.96Å
71	K	29.5	Very low	36.3	Very low	198 Å²	198	134.7 Å²	134.7	86%	0.861	77%	0.773	S	S	*	*			trans	-110.8	145.5	169	-75.2	-173.9	176.7	-177.8	0	109.2
72	P	27.2	Very low	34	Very low	125 Å²	125	131.1 Å²	131.1	81%	0.812	78%	0.776	S	S	*	*			trans	-83.7	157.7	-160.3	33.5	-35	0	0	0	114.6
73	D	24.2	Very low	31.8	Very low	162 Å²	162	130.4 Å²	130.4	87%	0.866	79%	0.787	S	S	*	*			trans	-61.9	140.6	-173.3	-64.2	-61.8	0	0	0	116
74	V	29.2	Very low	29.6	Very low	147 Å²	147	126.1 Å²	126.1	89%	0.891	79%	0.791	S	S	*	*			trans	-131.5	129.6	150.5	179.1	0	0	0	0	108.6
75	K	23.4	Very low	27.9	Very low	188 Å²	188	124.2 Å²	124.2	82%	0.817	80%	0.795	S	S	*	*			trans	-66.4	160.8	-169.2	-61.5	169.6	175.3	177.4	0	114.6
76	T	26.7	Very low	26.5	Very low	130 Å²	130	125.8 Å²	125.8	80%	0.798	80%	0.796	S	S	*	*				158.4	99.1	128.5	-53.1	0	0	0	0	108.5
77	V	24.5	Very low	25.8	Very low	144 Å²	144	127.2 Å²	127.2	87%	0.873	80%	0.799	S	S	*	*				73.2	121.2	86.4	179.3	0	0	0	0	116.3
78	G	24.1	Very low	25.2	Very low	65 Å²	65	129.4 Å²	129.4	67%	0.67	80%	0.802	S	S	*	*			trans	100	140.4	154.1	0	0	0	0	0	116.3
79	T	22.7	Very low	25	Very low	128 Å²	128	129 Å²	129	79%	0.785	80%	0.8	S	S	*	*			cis	-170.2	134.6	-1.9	-18.2	0	0	0	0	108.7
80	T	20.1	Very low	24.9	Very low	117 Å²	117	128.3 Å²	128.3	72%	0.718	79%	0.793	S	S	*	*			trans	37.5	138.2	136.5	57.8	0	0	0	0	125.9
81	S	21.7	Very low	24.6	Very low	107 Å²	107	128.9 Å²	128.9	75%	0.748	79%	0.792	S	S	*	*			trans	68.1	147.9	132.8	62.1	0	0	0	0	119.7
82	S	22.1	Very low	24.4	Very low	109 Å²	109	126 Å²	126	76%	0.762	79%	0.791	S	S	*	*			cis	177.8	157.3	2.1	42.5	0	0	0	0	109.8
83	A	23.3	Very low	24.3	Very low	105 Å²	105	125.9 Å²	125.9	87%	0.868	79%	0.793	S	S	*	*			trans	82.3	129.1	140.1	0	0	0	0	0	124.5
84	G	24.1	Very low	24.3	Very low	80 Å²	80	128.1 Å²	128.1	83%	0.825	80%	0.795	S	S	*	*			trans	103.2	145	143.8	0	0	0	0	0	116.7
85	S	21.3	Very low	24.1	Very low	107 Å²	107	129.8 Å²	129.8	75%	0.748	79%	0.794	S	S	*	*			cis	-178.4	159.8	-24.2	-175.2	0	0	0	0	106.3
86	T	23.1	Very low	24.2	Very low	116 Å²	116	126.9 Å²	126.9	71%	0.712	80%	0.797	S	S	*	*			trans	92.8	113.1	157.4	68.7	0	0	0	0	123.2
87	N	23.8	Very low	24	Very low	144 Å²	144	127 Å²	127	77%	0.77	80%	0.797	S	S	*	*				77.9	105.8	127.8	-62.5	-15.8	0	0	0	124.5
88	F	23.5	Very low	24.2	Very low	201 Å²	201	129.6 Å²	129.6	88%	0.882	80%	0.797	S	S	*	*			trans	12.5	160.5	136.1	-76.9	-86.3	0	0	0	122.3
89	P	31.3	Very low	24.2	Very low	112 Å²	112	134.6 Å²	134.6	73%	0.727	81%	0.808	S	S	*	*			cis	-137	-145.4	8.1	34.1	-7	0	0	0	113.3
90	P	28.7	Very low	24.2	Very low	111 Å²	111	137.4 Å²	137.4	72%	0.721	81%	0.812	S	S	*	*				-120.6	163.4	-93	39.4	-21.8	0	0	0	117.4
91	S	22	Very low	24.3	Very low	111 Å²	111	137.2 Å²	137.2	78%	0.776	81%	0.814	S	S	*	*			trans	6.9	117.1	155.2	59.5	0	0	0	0	122.3
92	T	25.5	Very low	24.4	Very low	138 Å²	138	141.5 Å²	141.5	85%	0.847	82%	0.819	S	S	*	*			trans	-139.3	144.5	134.6	31.2	0	0	0	0	110.1
93	S	25	Very low	24.7	Very low	121 Å²	121	143.7 Å²	143.7	85%	0.846	82%	0.82	S	S	*	*	P	Polyproline II helix	trans	-61.8	127.4	-168	47.3	0	0	0	0	114.9
94	F	24.2	Very low	24.8	Very low	210 Å²	210	144.7 Å²	144.7	92%	0.921	81%	0.811	S	S	*	*	P	Polyproline II helix	trans	-70.9	117.9	176.8	-95.1	-105.3	0	0	0	112.6
95	Q	24.9	Very low	24.9	Very low	182 Å²	182	146.6 Å²	146.6	85%	0.85	81%	0.812	S	S	*	*	P	Polyproline II helix	trans	-90.3	126.7	153.3	-79.3	-174.9	-7	0	0	109.6	T97	Q95-T97 PolarHBondContact O-N 3.15Å; Q95-T97 VanDerWaalsContact O-N 3.09Å
96	S	24.8	Very low	25.2	Very low	126 Å²	126	149.8 Å²	149.8	88%	0.881	81%	0.812	S	S	*	*			trans	-68.5	97.7	-175.2	-164.5	0	0	0	0	111.4
97	T	23.5	Very low	25.4	Very low	133 Å²	133	150.6 Å²	150.6	82%	0.816	82%	0.817	S	S	*	*			trans	-91.7	114.3	165.7	18.2	0	0	0	0	109.1	Q95 L99	Q95-T97 PolarHBondContact O-N 3.15Å; Q95-T97 VanDerWaalsContact O-N 3.09Å; T97-L99 PolarHBondContact O-N 3.36Å; T97-L99 VanDerWaalsContact O-N 3.15Å
98	K	27.6	Very low	25.7	Very low	198 Å²	198	148.8 Å²	148.8	86%	0.861	82%	0.816	S	S	*	*			trans	-48.1	116.6	172	-81.6	172.1	174.4	170.2	0	110.1	Q100	K98-Q100 PolarHBondContact O-N 3.2Å
99	L	24	Very low	25.9	Very low	171 Å²	171	150.4 Å²	150.4	90%	0.895	82%	0.816	S	S	*	*			trans	-48.9	104	167	-81.7	143.7	0	0	0	110	T97 C101	T97-L99 PolarHBondContact O-N 3.36Å; T97-L99 VanDerWaalsContact O-N 3.15Å; L99-C101 VanDerWaalsContact C-N 3.28Å; L99-C101 PolarHBondContact O-N 3.13Å
100	Q	23.5	Very low	26	Very low	187 Å²	187	150.7 Å²	150.7	87%	0.874	82%	0.818	S	S	*	*			trans	-63.4	96.4	156.7	-78.8	179.2	-16.7	0	0	106.9	K98 K102	K98-Q100 PolarHBondContact O-N 3.2Å; Q100-K102 PolarHBondContact O-N 3.38Å
101	C	22.6	Very low	26.3	Very low	113 Å²	113	150.6 Å²	150.6	76%	0.764	82%	0.82	S	S	*	*			trans	-63.7	103.5	168.8	-148.4	0	0	0	0	106.9	L99 I103	L99-C101 VanDerWaalsContact C-N 3.28Å; L99-C101 PolarHBondContact O-N 3.13Å; C101-I103 PolarHBondContact O-N 3.04Å
102	K	22.6	Very low	27	Very low	197 Å²	197	154.4 Å²	154.4	86%	0.857	82%	0.823	S	S	*	*			trans	-56.9	93.3	163.3	-76.1	179	176.8	176.6	0	106.7	Q100 N104	Q100-K102 PolarHBondContact O-N 3.38Å; K102-N104 VanDerWaalsContact C-N 3.29Å; K102-N104 PolarHBondContact O-N 2.97Å
103	I	29.9	Very low	27.9	Very low	154 Å²	154	153.6 Å²	153.6	79%	0.79	82%	0.82	S	S	*	*			trans	-64.4	100.8	167.2	-62.7	175	0	0	0	104.7	C101 S105	C101-I103 PolarHBondContact O-N 3.04Å; I103-S105 PolarHBondContact O-N 3.46Å
104	N	24.6	Very low	29.3	Very low	126 Å²	126	156.1 Å²	156.1	67%	0.674	82%	0.823	S	S	*	*			trans	-46.6	115.5	166.9	-95.5	-22.6	0	0	0	108	K102 K106	K102-N104 VanDerWaalsContact C-N 3.29Å; K102-N104 PolarHBondContact O-N 2.97Å; N104-K106 HydrophobicContact CB-CG 4.48Å; N104-K106 PolarHBondContact O-N 3.09Å
105	S	25.7	Very low	31	Very low	120 Å²	120	155.2 Å²	155.2	84%	0.839	82%	0.818	S	S	*	*			trans	-67	61.2	165.7	47.6	0	0	0	0	109.4	I103 T107	I103-S105 PolarHBondContact O-N 3.46Å; S105-T107 PolarHBondContact O-N 2.98Å
106	K	28.1	Very low	32.9	Very low	174 Å²	174	149.3 Å²	149.3	76%	0.757	80%	0.796	S	S	*	*			trans	-68.7	92.9	158.4	-77.4	-173.7	177.9	-178.3	0	105.8	N104 S108	N104-K106 HydrophobicContact CB-CG 4.48Å; N104-K106 PolarHBondContact O-N 3.09Å; K106-S108 PolarHBondContact O-N 2.88Å
107	T	26.8	Very low	35	Very low	133 Å²	133	144.5 Å²	144.5	82%	0.816	76%	0.762	S	S	*	*			trans	9.9	83.7	154.5	53.8	0	0	0	0	112.3	S105 R109	S105-T107 PolarHBondContact O-N 2.98Å; T107-R109 PolarHBondContact O-N 3.33Å
108	S	30.3	Very low	37.4	Very low	107 Å²	107	140 Å²	140	75%	0.748	73%	0.734	S	S	*	*			trans	-54.1	117.6	163.4	51	0	0	0	0	105.6	K106 P110	K106-S108 PolarHBondContact O-N 2.88Å; S108-P110 VanDerWaalsContact O-N 3.14Å
109	R	27.9	Very low	39.7	Very low	235 Å²	235	130.5 Å²	130.5	89%	0.887	69%	0.693	S	S	*	*			trans	-43.5	128.5	164.1	-86	-178.4	172.3	-160.2	-2.4	106.6	T107 S111	T107-R109 PolarHBondContact O-N 3.33Å; R109-S111 PolarHBondContact O-N 3.45Å
110	P	33.3	Very low	42.5	Very low	117 Å²	117	128.6 Å²	128.6	76%	0.76	67%	0.673	S	S	*	*			trans	-50.6	119.6	-176.2	17.9	-29.7	0	0	0	107.8	S108 K112	S108-P110 VanDerWaalsContact O-N 3.14Å; P110-K112 PolarHBondContact O-N 3.39Å
111	S	34.7	Very low	45.3	Very low	109 Å²	109	119.8 Å²	119.8	76%	0.762	63%	0.633	S	S	*	*			trans	-50.9	115	167.6	49	0	0	0	0	105.3	R109	R109-S111 PolarHBondContact O-N 3.45Å
112	K	37.2	Very low	48.2	Very low	191 Å²	191	116 Å²	116	83%	0.83	60%	0.603	S	S	*	*			trans	-46.1	130.9	175.1	-77.8	-178.5	176.6	179.2	0	107	P110 L114	P110-K112 PolarHBondContact O-N 3.39Å; K112-L114 PolarHBondContact O-N 3.35Å; K112-L114 VanDerWaalsContact O-N 3.15Å
113	P	44	Very low	51.1	Low	121 Å²	121	106.7 Å²	106.7	79%	0.786	56%	0.562	S	S	*	*			trans	-49.4	128.2	-177.9	17.6	-29.8	0	0	0	108.7	K115	P113-K115 PolarHBondContact O-N 2.91Å
114	L	55.4	Low	53.6	Low	174 Å²	174	104.4 Å²	104.4	91%	0.911	55%	0.546	S	S	*	.			trans	-51.5	115.1	176.2	-78.3	155.8	0	0	0	106.4	K112	K112-L114 PolarHBondContact O-N 3.35Å; K112-L114 VanDerWaalsContact O-N 3.15Å
115	K	59.2	Low	56.3	Low	191 Å²	191	100.3 Å²	100.3	83%	0.83	53%	0.527	S	S	*	.	P	Polyproline II helix	trans	-56.1	138.1	176.5	-74.2	-175.1	178.2	-175.5	0	107.5	P113	P113-K115 PolarHBondContact O-N 2.91Å
116	P	66.1	Low	58.6	Low	58 Å²	58	99.3 Å²	99.3	38%	0.377	51%	0.505	S	S	.	.	P	Polyproline II helix	trans	-54.5	143.1	176.1	23.6	-33.6	0	0	0	110.4	V118 P163	P116-V118 PolarHBondContact O-N 3.25Å; P116-P163 WeakPolarHBondContact CB-O 3.15Å
117	P	68.4	Low	60.8	Low	25 Å²	25	97.3 Å²	97.3	16%	0.162	50%	0.499	C	S	.	.	P	Polyproline II helix	trans	-59.3	135	176.8	24.9	-32.1	0	0	0	109	L139 V164 Q165	P117-L139 HydrophobicContact CB-CD1 4.36Å; P117-L139 HydrophobicContact CG-CD1 4.46Å; P117-V164 HydrophobicContact CG-CG1 4.41Å; P117-V164 HydrophobicContact CG-CG2 4.17Å; P117-V164 VanDerWaalsContact O-CG1 3.23Å; P117-V164 WeakPolarHBondContact O-CG1 3.49Å; P117-Q165 PolarHBondContact O-N 3.26Å
118	V	74.2	Confident	63.2	Low	38 Å²	38	92.6 Å²	92.6	23%	0.23	47%	0.47	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	122.2	176.5	-175.6	0	0	0	0	107.8	P116 R120 Q165 E167	P116-V118 PolarHBondContact O-N 3.25Å; V118-R120 HydrophobicContact CG1-CG 4.09Å; V118-Q165 CarbonylContact C-O 3.59Å; V118-Q165 WeakPolarHBondContact CA-O 3.5Å; V118-Q165 HydrophobicContact CG2-CB 4.25Å; V118-E167 HydrophobicContact CG1-CG 4.39Å
119	V	76.3	Confident	65.6	Low	0 Å²	0	87.5 Å²	87.5	0%	0	43%	0.434	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	123.8	173.5	175.3	0	0	0	0	108.1	V131 A133 L139 L160 V164 Q165 F166 E167	V119-V131 HydrophobicContact CG1-CG1 3.37Å; V119-A133 HydrophobicContact CG2-CB 3.82Å; V119-L139 HydrophobicContact CG2-CD1 3.71Å; V119-L139 HydrophobicContact CG2-CD2 4.16Å; V119-L160 HydrophobicContact CG1-CD1 4.05Å; V119-L160 HydrophobicContact CG1-CD2 4.41Å; V119-L160 HydrophobicContact CG2-CD2 4.28Å; V119-V164 HydrophobicContact CB-CG1 3.92Å; V119-V164 HydrophobicContact CG2-CG1 3.3Å; V119-Q165 PolarHBondContact N-O 3.41Å; V119-F166 HydrophobicContact CB-CD2 4.22Å; V119-F166 HydrophobicContact CG1-CD2 3.99Å; V119-F166 HydrophobicContact CG1-CE2 4.22Å; V119-E167 PolarHBondContact O-N 3.47Å
120	R	81.4	Confident	68.1	Low	130 Å²	130	77.5 Å²	77.5	49%	0.491	40%	0.397	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	136.7	178.8	-61	-174.9	164.3	141.7	5.4	110.2	V118 L132 E167	V118-R120 HydrophobicContact CG1-CG 4.09Å; R120-L132 HydrophobicContact CB-CB 4.27Å; R120-L132 PolarHBondContact N-O 2.79Å; R120-L132 PolarHBondContact O-N 2.81Å; R120-E167 WeakPolarHBondContact CA-O 3.15Å; R120-E167 WeakPolarHBondContact CD-OE2 3.46Å; R120-E167 HydrophobicContact CG-CB 4.14Å; R120-E167 WeakPolarHBondContact CG-OE2 3.49Å; R120-E167 IonicContact CZ-OE2 2.59Å; R120-E167 IonicContact NE-OE1 3.82Å; R120-E167 IonicContact NE-OE2 3.83Å; R120-E167 PolarHBondContact NE-OE2 3.33Å; R120-E167 IonicContact NH2-OE1 3.73Å; R120-E167 IonicContact NH2-OE2 2.73Å
121	C	82.8	Confident	70.3	Confident	3 Å²	3	71.9 Å²	71.9	2%	0.02	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105	140.5	171.9	-64.3	0	0	0	0	111	F129 E130 Y153 F166 E167 L169 R380	C121-F129 HydrophobicContact CB-CD2 4.4Å; C121-E130 CarbonylContact C-O 3.58Å; C121-E130 WeakPolarHBondContact CA-O 3.48Å; C121-Y153 HydrophobicContact CB-CE2 4.44Å; C121-F166 VanDerWaalsContact SG-CE2 3.51Å; C121-E167 PolarHBondContact N-O 3.47Å; C121-L169 HydrophobicContact CB-CD2 3.95Å; C121-L169 HydrophobicContact CB-CG 3.9Å; C121-R380 PolarHBondContact O-NH2 2.99Å
122	R	83.3	Confident	72.4	Confident	34 Å²	34	69 Å²	69	13%	0.128	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	135	178.1	-176.4	-177.8	-179.6	-155.4	0.4	110.7	F129 E130 E404 E405	R122-F129 CarbonylContact O-C 3.4Å; R122-F129 VanDerWaalsContact O-CA 3.24Å; R122-F129 WeakPolarHBondContact O-CA 3.46Å; R122-F129 WeakPolarHBondContact O-CB 3.03Å; R122-E130 PolarHBondContact N-O 3.31Å; R122-E130 PolarHBondContact O-N 3.19Å; R122-E404 IonicContact CZ-OE2 2.76Å; R122-E404 IonicContact NH1-OE2 2.79Å; R122-E404 PolarHBondContact NH1-OE2 3.37Å; R122-E404 VanDerWaalsContact NH2-CD 3.31Å; R122-E404 IonicContact NH2-OE2 3.9Å; R122-E404 PolarHBondContact NH2-OE2 3.49Å; R122-E405 WeakPolarHBondContact CA-OE1 3.31Å; R122-E405 HydrophobicContact CG-CB 3.82Å
123	L	84	Confident	74.2	Confident	1 Å²	1	60.1 Å²	60.1	1%	0.005	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.6	129.9	173.6	-166.9	69.5	0	0	0	110.5	S125 L169 A173 V176 L177 E405 L408 L409	L123-S125 VanDerWaalsContact CD1-O 3.24Å; L123-S125 WeakPolarHBondContact CD1-O 2.85Å; L123-L169 HydrophobicContact CB-CD2 4.29Å; L123-A173 HydrophobicContact CB-CB 4.24Å; L123-A173 HydrophobicContact CD2-CB 4.05Å; L123-V176 HydrophobicContact CD2-CG1 4.39Å; L123-L177 HydrophobicContact CD1-CD1 3.85Å; L123-L177 HydrophobicContact CD1-CD2 3.42Å; L123-L177 VanDerWaalsContact CD1-CD2 3.42Å; L123-L177 HydrophobicContact CD1-CG 3.58Å; L123-E405 HydrophobicContact CB-CB 4.49Å; L123-E405 HydrophobicContact CB-CG 3.96Å; L123-E405 PolarHBondContact N-OE1 2.52Å; L123-L408 HydrophobicContact CB-CD2 4.47Å; L123-L408 HydrophobicContact CD2-CD2 3.54Å; L123-L408 HydrophobicContact CD2-CG 4.13Å; L123-L408 HydrophobicContact CG-CD2 3.63Å; L123-L409 HydrophobicContact CD2-CD2 3.68Å; L123-L409 HydrophobicContact CD2-CG 4.44Å
124	K	81.8	Confident	75.6	Confident	105 Å²	105	58.8 Å²	58.8	46%	0.457	29%	0.286	S	S	.	.			trans	-110.7	-40	179.2	-170.9	-177.8	-179.6	-175.1	0	112.4	E16 T128	E16-K124 IonicContact OE1-NZ 2.63Å; E16-K124 PolarHBondContact OE1-NZ 3.43Å; E16-K124 IonicContact OE2-NZ 3.22Å; E16-K124 PolarHBondContact OE2-NZ 3.23Å; K124-T128 PolarHBondContact N-O 2.99Å
125	S	80.5	Confident	76.3	Confident	40 Å²	40	58.2 Å²	58.2	28%	0.28	27%	0.272	S	S	.	.	S	Bend	trans	-143.8	179.9	171.4	80.1	0	0	0	0	110.3	L123 E127 T128	L123-S125 VanDerWaalsContact CD1-O 3.24Å; L123-S125 WeakPolarHBondContact CD1-O 2.85Å; S125-E127 PolarHBondContact O-N 3.19Å; S125-E127 VanDerWaalsContact O-N 3.07Å; S125-E127 PolarHBondContact OG-N 3.06Å; S125-T128 WeakPolarHBondContact CB-OG1 3.15Å; S125-T128 PolarHBondContact N-O 3.19Å; S125-T128 PolarHBondContact N-OG1 3.14Å; S125-T128 PolarHBondContact O-N 3.32Å; S125-T128 VanDerWaalsContact O-O 3.12Å; S125-T128 WeakPolarHBondContact OG-CB 3.25Å; S125-T128 PolarHBondContact OG-N 2.65Å; S125-T128 VanDerWaalsContact OG-N 3.12Å; S125-T128 PolarHBondContact OG-OG1 3.37Å
126	R	74.6	Confident	76.8	Confident	99 Å²	99	52.9 Å²	52.9	37%	0.374	25%	0.25	S	S	.	.	S	Bend	trans	-60.3	-15.4	174.6	-160.9	179.1	-176.8	-173.8	6.5	113.7	L177	R126-L177 WeakPolarHBondContact O-CD2 3.43Å
127	E	75.4	Confident	76.9	Confident	132 Å²	132	53.7 Å²	53.7	62%	0.617	25%	0.254	S	S	*	.	S	Bend	trans	-127.1	-6.5	-173.5	-60.9	176.6	177.9	0	0	112.8	L13 S125	L13-E127 WeakPolarHBondContact CA-O 3.23Å; L13-E127 WeakPolarHBondContact CD2-O 3.38Å; S125-E127 PolarHBondContact O-N 3.19Å; S125-E127 VanDerWaalsContact O-N 3.07Å; S125-E127 PolarHBondContact OG-N 3.06Å
128	T	76.6	Confident	76.9	Confident	34 Å²	34	55.8 Å²	55.8	21%	0.209	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	144	-172.6	65.9	0	0	0	0	112	K124 S125	K124-T128 PolarHBondContact N-O 2.99Å; S125-T128 WeakPolarHBondContact CB-OG1 3.15Å; S125-T128 PolarHBondContact N-O 3.19Å; S125-T128 PolarHBondContact N-OG1 3.14Å; S125-T128 PolarHBondContact O-N 3.32Å; S125-T128 VanDerWaalsContact O-O 3.12Å; S125-T128 WeakPolarHBondContact OG-CB 3.25Å; S125-T128 PolarHBondContact OG-N 2.65Å; S125-T128 VanDerWaalsContact OG-N 3.12Å; S125-T128 PolarHBondContact OG-OG1 3.37Å
129	F	80.5	Confident	76.7	Confident	0 Å²	0	54.3 Å²	54.3	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130	148.4	172.3	67.7	-83.9	0	0	0	110.1	L13 R14 P15 E16 C121 R122 V131 Y153 C156 L169	L13-F129 HydrophobicContact CB-CE1 4.29Å; R14-F129 PolarHBondContact O-N 3.21Å; P15-F129 WeakPolarHBondContact CA-O 3.41Å; P15-F129 HydrophobicContact CB-CE1 4.35Å; P15-F129 HydrophobicContact CB-CE2 3.88Å; P15-F129 HydrophobicContact CB-CZ 3.76Å; P15-F129 HydrophobicContact CG-CZ 4.47Å; E16-F129 PolarHBondContact N-O 3.22Å; C121-F129 HydrophobicContact CB-CD2 4.4Å; R122-F129 CarbonylContact O-C 3.4Å; R122-F129 VanDerWaalsContact O-CA 3.24Å; R122-F129 WeakPolarHBondContact O-CA 3.46Å; R122-F129 WeakPolarHBondContact O-CB 3.03Å; F129-V131 HydrophobicContact CD2-CG2 3.82Å; F129-V131 HydrophobicContact CE2-CG2 3.49Å; F129-V131 VanDerWaalsContact CE2-CG2 3.49Å; F129-Y153 HydrophobicContact CD1-CD2 4.25Å; F129-Y153 HydrophobicContact CD2-CD2 4.3Å; F129-Y153 AromaticContact CE1-CD2 3.98Å; F129-Y153 HydrophobicContact CE1-CD2 3.98Å; F129-Y153 HydrophobicContact CE2-CD2 4.02Å; F129-Y153 HydrophobicContact CG-CD2 4.41Å; F129-Y153 AromaticContact CZ-CD2 3.86Å; F129-Y153 HydrophobicContact CZ-CD2 3.86Å; F129-C156 HydrophobicContact CE2-CB 4.5Å; F129-C156 HydrophobicContact CZ-CB 4.03Å; F129-L169 HydrophobicContact CB-CD1 4.07Å; F129-L169 HydrophobicContact CB-CD2 4.37Å; F129-L169 HydrophobicContact CG-CD1 4.33Å
130	E	80.8	Confident	76.4	Confident	25 Å²	25	55.2 Å²	55.2	12%	0.117	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	137	174.5	-174.4	179.9	-162.5	0	0	109	E16 N18 C121 R122 L132	E16-E130 CarbonylContact O-C 3.59Å; E16-E130 WeakPolarHBondContact O-CA 3.47Å; N18-E130 HydrophobicContact CB-CG 4.41Å; N18-E130 WeakPolarHBondContact CB-OE1 3.1Å; N18-E130 PolarHBondContact ND2-OE1 2.87Å; C121-E130 CarbonylContact C-O 3.58Å; C121-E130 WeakPolarHBondContact CA-O 3.48Å; R122-E130 PolarHBondContact N-O 3.31Å; R122-E130 PolarHBondContact O-N 3.19Å; E130-L132 HydrophobicContact CG-CD2 4.01Å; E130-L132 HydrophobicContact CG-CG 4.35Å
131	V	79.8	Confident	75.8	Confident	0 Å²	0	54.6 Å²	54.6	0%	0	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	115.5	171.8	-171.8	0	0	0	0	108.9	P15 E16 N18 V119 F129 F143	P15-V131 HydrophobicContact CB-CG2 4.15Å; E16-V131 PolarHBondContact O-N 3.46Å; N18-V131 PolarHBondContact N-O 2.92Å; V119-V131 HydrophobicContact CG1-CG1 3.37Å; F129-V131 HydrophobicContact CD2-CG2 3.82Å; F129-V131 HydrophobicContact CE2-CG2 3.49Å; F129-V131 VanDerWaalsContact CE2-CG2 3.49Å; V131-F143 HydrophobicContact CB-CE1 4.35Å; V131-F143 HydrophobicContact CB-CZ 4.14Å; V131-F143 HydrophobicContact CG1-CE1 4.24Å; V131-F143 HydrophobicContact CG1-CE2 4.4Å; V131-F143 HydrophobicContact CG1-CZ 3.6Å; V131-F143 HydrophobicContact CG2-CE1 4.32Å; V131-F143 HydrophobicContact CG2-CZ 4.49Å
132	L	78	Confident	75.1	Confident	47 Å²	47	55.9 Å²	55.9	25%	0.246	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	116.7	178.6	-60.9	173.4	0	0	0	108.6	N18 R120 E130	N18-L132 HydrophobicContact CB-CD2 4.26Å; R120-L132 HydrophobicContact CB-CB 4.27Å; R120-L132 PolarHBondContact N-O 2.79Å; R120-L132 PolarHBondContact O-N 2.81Å; E130-L132 HydrophobicContact CG-CD2 4.01Å; E130-L132 HydrophobicContact CG-CG 4.35Å
133	A	75.6	Confident	74.5	Confident	5 Å²	5	55.3 Å²	55.3	4%	0.041	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	146.2	178.5	0	0	0	0	0	110.4	V119 L139	V119-A133 HydrophobicContact CG2-CB 3.82Å; A133-L139 HydrophobicContact CB-CD1 3.86Å
134	D	73	Confident	73.7	Confident	94 Å²	94	65 Å²	65	50%	0.503	31%	0.309	S	S	.	.			trans	-66.2	148.6	164.3	-70	-33.7	0	0	0	109.7	N20 H136	N20-D134 PolarHBondContact ND2-OD1 2.91Å; D134-H136 PolarHBondContact O-N 2.78Å; D134-H136 VanDerWaalsContact O-N 3.13Å
135	Y	70.6	Confident	73.1	Confident	162 Å²	162	63.9 Å²	63.9	64%	0.635	32%	0.315	S	S	*	.			trans	-59.6	120.7	-178.6	177.9	-92	0	0	0	110.6	V140	Y135-V140 HydrophobicContact CD2-CG2 3.98Å; Y135-V140 HydrophobicContact CE2-CG2 3.7Å
136	H	69.7	Low	72.4	Confident	79 Å²	79	62.7 Å²	62.7	37%	0.366	31%	0.305	S	S	.	.			trans	-142.5	128.8	172.8	-168.8	-85.6	0	0	0	108.5	D134 S138 L139 V140	D134-H136 PolarHBondContact O-N 2.78Å; D134-H136 VanDerWaalsContact O-N 3.13Å; H136-S138 VanDerWaalsContact C-N 3.29Å; H136-S138 PolarHBondContact CE1-OG 3.01Å; H136-S138 WeakPolarHBondContact ND1-CB 3.35Å; H136-S138 PolarHBondContact ND1-N 2.88Å; H136-S138 PolarHBondContact ND1-OG 3.16Å; H136-S138 PolarHBondContact O-N 3.48Å; H136-L139 HydrophobicContact CB-CB 4.24Å; H136-L139 HydrophobicContact CB-CD1 3.98Å; H136-L139 HydrophobicContact CB-CG 4.07Å; H136-L139 WeakPolarHBondContact O-CB 3.44Å; H136-L139 PolarHBondContact O-N 3.18Å; H136-V140 WeakPolarHBondContact O-CG2 3.37Å; H136-V140 PolarHBondContact O-N 2.82Å; H136-V140 VanDerWaalsContact O-N 3.09Å
137	T	67.7	Low	71.7	Confident	75 Å²	75	61.9 Å²	61.9	46%	0.46	31%	0.312	S	S	.	.	H	α-helix	trans	-54.4	-45.2	-173.5	-43.3	0	0	0	0	111.9	L139 V140 E141	T137-L139 VanDerWaalsContact C-N 3.31Å; T137-L139 PolarHBondContact O-N 2.59Å; T137-V140 WeakPolarHBondContact O-CB 3.34Å; T137-V140 PolarHBondContact O-N 2.96Å; T137-V140 VanDerWaalsContact O-N 3.17Å; T137-E141 PolarHBondContact O-N 3.2Å
138	S	68.8	Low	70.7	Confident	69 Å²	69	64.1 Å²	64.1	48%	0.483	32%	0.32	S	S	.	.	H	α-helix	trans	-63.4	-33.7	178.4	-40.2	0	0	0	0	113.3	H136 M142	H136-S138 VanDerWaalsContact C-N 3.29Å; H136-S138 PolarHBondContact CE1-OG 3.01Å; H136-S138 WeakPolarHBondContact ND1-CB 3.35Å; H136-S138 PolarHBondContact ND1-N 2.88Å; H136-S138 PolarHBondContact ND1-OG 3.16Å; H136-S138 PolarHBondContact O-N 3.48Å; S138-M142 WeakPolarHBondContact O-CB 3.31Å; S138-M142 PolarHBondContact O-N 3.03Å
139	L	70	Confident	69.3	Low	7 Å²	7	69.2 Å²	69.2	4%	0.037	34%	0.342	C	S	.	.	H	α-helix	trans	-69.8	-42.1	175.9	-72.9	178.3	0	0	0	110.5	P117 V119 A133 H136 T137 M142 F143 L160 V164	P117-L139 HydrophobicContact CB-CD1 4.36Å; P117-L139 HydrophobicContact CG-CD1 4.46Å; V119-L139 HydrophobicContact CG2-CD1 3.71Å; V119-L139 HydrophobicContact CG2-CD2 4.16Å; A133-L139 HydrophobicContact CB-CD1 3.86Å; H136-L139 HydrophobicContact CB-CB 4.24Å; H136-L139 HydrophobicContact CB-CD1 3.98Å; H136-L139 HydrophobicContact CB-CG 4.07Å; H136-L139 WeakPolarHBondContact O-CB 3.44Å; H136-L139 PolarHBondContact O-N 3.18Å; T137-L139 VanDerWaalsContact C-N 3.31Å; T137-L139 PolarHBondContact O-N 2.59Å; L139-M142 HydrophobicContact CD2-CE 3.88Å; L139-M142 PolarHBondContact O-N 2.85Å; L139-F143 HydrophobicContact CB-CD2 4.4Å; L139-F143 HydrophobicContact CB-CE2 4.29Å; L139-F143 HydrophobicContact CD2-CE2 4.44Å; L139-F143 WeakPolarHBondContact O-CD2 3.4Å; L139-F143 PolarHBondContact O-N 3.34Å; L139-L160 HydrophobicContact CD2-CD2 3.6Å; L139-V164 HydrophobicContact CD2-CG2 4.1Å
140	V	69.6	Low	67.7	Low	18 Å²	18	75 Å²	75	11%	0.109	37%	0.367	C	S	.	.	H	α-helix	trans	-60.8	-47	178.1	178.8	0	0	0	0	111.2	F19 Y135 H136 T137 M142 F143 R144	F19-V140 HydrophobicContact CD1-CG2 4.27Å; F19-V140 HydrophobicContact CE1-CG2 3.62Å; F19-V140 HydrophobicContact CE2-CG2 3.9Å; F19-V140 HydrophobicContact CZ-CB 4.09Å; F19-V140 HydrophobicContact CZ-CG2 3.42Å; F19-V140 VanDerWaalsContact CZ-CG2 3.42Å; Y135-V140 HydrophobicContact CD2-CG2 3.98Å; Y135-V140 HydrophobicContact CE2-CG2 3.7Å; H136-V140 WeakPolarHBondContact O-CG2 3.37Å; H136-V140 PolarHBondContact O-N 2.82Å; H136-V140 VanDerWaalsContact O-N 3.09Å; T137-V140 WeakPolarHBondContact O-CB 3.34Å; T137-V140 PolarHBondContact O-N 2.96Å; T137-V140 VanDerWaalsContact O-N 3.17Å; V140-M142 VanDerWaalsContact C-N 3.35Å; V140-F143 PolarHBondContact O-N 3.02Å; V140-R144 WeakPolarHBondContact O-CB 3.34Å; V140-R144 VanDerWaalsContact O-CG 3.31Å; V140-R144 WeakPolarHBondContact O-CG 3.25Å; V140-R144 PolarHBondContact O-N 3.39Å
141	E	69	Low	66.3	Low	117 Å²	117	74 Å²	74	55%	0.547	36%	0.363	S	S	.	.	H	α-helix	trans	-63.4	-41.4	177.4	-71.8	170.5	-176.4	0	0	111.8	T137 R144 S145	T137-E141 PolarHBondContact O-N 3.2Å; E141-R144 PolarHBondContact O-N 2.73Å; E141-S145 PolarHBondContact O-N 3.19Å
142	M	68.6	Low	65.3	Low	30 Å²	30	74.5 Å²	74.5	15%	0.148	37%	0.367	C	S	.	.	H	α-helix	trans	-63.8	-45.6	176.9	-177.5	-80.1	-60.7	0	0	112	S138 L139 V140 R144 S145 M146 K159 L160	S138-M142 WeakPolarHBondContact O-CB 3.31Å; S138-M142 PolarHBondContact O-N 3.03Å; L139-M142 HydrophobicContact CD2-CE 3.88Å; L139-M142 PolarHBondContact O-N 2.85Å; V140-M142 VanDerWaalsContact C-N 3.35Å; M142-R144 VanDerWaalsContact C-N 3.33Å; M142-R144 PolarHBondContact O-N 2.79Å; M142-S145 PolarHBondContact O-N 2.95Å; M142-S145 PolarHBondContact O-OG 2.77Å; M142-M146 HydrophobicContact CE-CE 3.99Å; M142-M146 PolarHBondContact O-N 2.84Å; M142-M146 HydrophobicContact SD-CE 3.15Å; M142-M146 WeakPolarHBondContact SD-CE 3.39Å; M142-K159 HydrophobicContact CG-CB 4.48Å; M142-K159 HydrophobicContact SD-CB 4.14Å; M142-L160 HydrophobicContact CE-CD2 3.36Å; M142-L160 HydrophobicContact CE-CG 3.92Å
143	F	69.4	Low	64.8	Low	22 Å²	22	73.6 Å²	73.6	10%	0.096	36%	0.36	C	S	.	.	H	α-helix	trans	-67.2	-31.9	175.4	-75.8	-63.3	0	0	0	112.9	V17 F19 V131 L139 V140 S145 M146 L160	V17-F143 HydrophobicContact CB-CG 4.37Å; V17-F143 HydrophobicContact CG1-CB 4.29Å; V17-F143 HydrophobicContact CG1-CD1 4.34Å; V17-F143 HydrophobicContact CG1-CD2 3.67Å; V17-F143 HydrophobicContact CG1-CE2 4.11Å; V17-F143 HydrophobicContact CG1-CG 3.85Å; V17-F143 HydrophobicContact CG2-CB 3.98Å; V17-F143 HydrophobicContact CG2-CD1 3.36Å; V17-F143 HydrophobicContact CG2-CD2 4.22Å; V17-F143 HydrophobicContact CG2-CE1 3.89Å; V17-F143 HydrophobicContact CG2-CG 3.59Å; F19-F143 HydrophobicContact CZ-CD2 4.1Å; V131-F143 HydrophobicContact CB-CE1 4.35Å; V131-F143 HydrophobicContact CB-CZ 4.14Å; V131-F143 HydrophobicContact CG1-CE1 4.24Å; V131-F143 HydrophobicContact CG1-CE2 4.4Å; V131-F143 HydrophobicContact CG1-CZ 3.6Å; V131-F143 HydrophobicContact CG2-CE1 4.32Å; V131-F143 HydrophobicContact CG2-CZ 4.49Å; L139-F143 HydrophobicContact CB-CD2 4.4Å; L139-F143 HydrophobicContact CB-CE2 4.29Å; L139-F143 HydrophobicContact CD2-CE2 4.44Å; L139-F143 WeakPolarHBondContact O-CD2 3.4Å; L139-F143 PolarHBondContact O-N 3.34Å; V140-F143 PolarHBondContact O-N 3.02Å; F143-S145 VanDerWaalsContact C-N 3.34Å; F143-M146 HydrophobicContact CD1-CE 3.36Å; F143-M146 HydrophobicContact CD1-SD 4.2Å; F143-M146 HydrophobicContact CE1-CE 3.44Å; F143-M146 VanDerWaalsContact CE1-CE 3.44Å; F143-M146 HydrophobicContact CG-CE 4.35Å; F143-M146 HydrophobicContact CZ-CE 4.47Å; F143-M146 PolarHBondContact O-N 2.87Å; F143-L160 HydrophobicContact CZ-CD1 4.48Å; F143-L160 HydrophobicContact CZ-CD2 4.4Å
144	R	68.9	Low	64.3	Low	204 Å²	204	74.9 Å²	74.9	77%	0.77	37%	0.371	S	S	*	.	H	α-helix	trans	-67.6	-32	173.5	-78.2	177.2	179.9	-177.4	0.9	113.1	V140 E141 M142 M146	V140-R144 WeakPolarHBondContact O-CB 3.34Å; V140-R144 VanDerWaalsContact O-CG 3.31Å; V140-R144 WeakPolarHBondContact O-CG 3.25Å; V140-R144 PolarHBondContact O-N 3.39Å; E141-R144 PolarHBondContact O-N 2.73Å; M142-R144 VanDerWaalsContact C-N 3.33Å; M142-R144 PolarHBondContact O-N 2.79Å; R144-M146 VanDerWaalsContact C-N 3.3Å
145	S	68.7	Low	63.9	Low	82 Å²	82	72 Å²	72	57%	0.573	36%	0.361	S	S	*	.	H	α-helix	trans	-81.3	-7.7	177.9	73.6	0	0	0	0	113.5	E141 M142 F143	E141-S145 PolarHBondContact O-N 3.19Å; M142-S145 PolarHBondContact O-N 2.95Å; M142-S145 PolarHBondContact O-OG 2.77Å; F143-S145 VanDerWaalsContact C-N 3.34Å
146	M	66	Low	63.8	Low	15 Å²	15	64.3 Å²	64.3	7%	0.074	33%	0.331	C	S	.	.	S	Bend	trans	-72	138.3	174	-69.3	-161.8	-151.3	0	0	111.2	P15 M142 F143 R144 K148 K159	P15-M146 HydrophobicContact CG-SD 4.49Å; M142-M146 HydrophobicContact CE-CE 3.99Å; M142-M146 PolarHBondContact O-N 2.84Å; M142-M146 HydrophobicContact SD-CE 3.15Å; M142-M146 WeakPolarHBondContact SD-CE 3.39Å; F143-M146 HydrophobicContact CD1-CE 3.36Å; F143-M146 HydrophobicContact CD1-SD 4.2Å; F143-M146 HydrophobicContact CE1-CE 3.44Å; F143-M146 VanDerWaalsContact CE1-CE 3.44Å; F143-M146 HydrophobicContact CG-CE 4.35Å; F143-M146 HydrophobicContact CZ-CE 4.47Å; F143-M146 PolarHBondContact O-N 2.87Å; R144-M146 VanDerWaalsContact C-N 3.3Å; M146-K148 PolarHBondContact O-N 2.89Å; M146-K159 HydrophobicContact CG-CD 4.36Å
147	P	58.6	Low	63.7	Low	82 Å²	82	63.1 Å²	63.1	53%	0.532	33%	0.328	S	S	.	.			trans	-60	127	171.2	23.4	-30.4	0	0	0	109.5	E149	P147-E149 PolarHBondContact O-N 2.78Å
148	K	55	Low	63.7	Low	179 Å²	179	66.2 Å²	66.2	78%	0.778	34%	0.338	S	S	*	.	S	Bend	trans	-62.9	-23.9	-178.3	-70	-177.1	-179.9	175.7	0	113.3	R14 M146	R14-K148 PolarHBondContact NE-O 2.76Å; M146-K148 PolarHBondContact O-N 2.89Å
149	E	48.1	Very low	63.7	Low	142 Å²	142	67.7 Å²	67.7	66%	0.664	34%	0.335	S	S	*	.	S	Bend	trans	-82.6	-40.8	-164.5	-73.6	-176.6	168.7	0	0	113.7	R14 P147	R14-E149 PolarHBondContact NE-O 3.04Å; P147-E149 PolarHBondContact O-N 2.78Å
150	K	46.9	Very low	63.6	Low	120 Å²	120	67.9 Å²	67.9	52%	0.522	34%	0.336	S	S	.	.			trans	-165	62.7	-167.8	-73.9	-173.6	-175.7	161	0	112.5	D11 R12 A152	D11-K150 WeakPolarHBondContact O-CB 3.4Å; R12-K150 HydrophobicContact CG-CD 4.24Å; K150-A152 PolarHBondContact O-N 3.45Å
151	S	50.2	Low	63.1	Low	6 Å²	6	73.3 Å²	73.3	4%	0.042	36%	0.361	C	S	.	.			trans	-81.4	100.7	172	68.9	0	0	0	0	109.3	L13 P15 Y153	L13-S151 CarbonylContact O-C 3.57Å; L13-S151 PolarHBondContact O-N 3.42Å; P15-S151 WeakPolarHBondContact CD-OG 3.49Å; P15-S151 VanDerWaalsContact CG-OG 3.25Å; P15-S151 WeakPolarHBondContact CG-OG 3.44Å; S151-Y153 PolarHBondContact O-N 3.12Å
152	A	59.1	Low	62.5	Low	10 Å²	10	73.1 Å²	73.1	8%	0.083	37%	0.369	C	S	.	.			trans	-41.6	138.2	170.7	0	0	0	0	0	110.6	I10 K150 A154 A155 C156	I10-A152 HydrophobicContact CG2-CB 4.43Å; I10-A152 WeakPolarHBondContact O-CA 3.43Å; K150-A152 PolarHBondContact O-N 3.45Å; A152-A154 PolarHBondContact O-N 2.71Å; A152-A155 HydrophobicContact CB-CB 4.42Å; A152-A155 WeakPolarHBondContact O-CA 3.37Å; A152-A155 WeakPolarHBondContact O-CB 3.43Å; A152-A155 PolarHBondContact O-N 3.28Å; A152-C156 PolarHBondContact O-N 3.2Å
153	Y	67.3	Low	62.1	Low	27 Å²	27	76.9 Å²	76.9	11%	0.106	40%	0.396	C	S	.	.	H	α-helix	trans	-49	-37.5	176.3	173.1	-96.3	0	0	0	111.5	C121 F129 S151 A155 C156 V157 G168 L169 L174	C121-Y153 HydrophobicContact CB-CE2 4.44Å; F129-Y153 HydrophobicContact CD1-CD2 4.25Å; F129-Y153 HydrophobicContact CD2-CD2 4.3Å; F129-Y153 AromaticContact CE1-CD2 3.98Å; F129-Y153 HydrophobicContact CE1-CD2 3.98Å; F129-Y153 HydrophobicContact CE2-CD2 4.02Å; F129-Y153 HydrophobicContact CG-CD2 4.41Å; F129-Y153 AromaticContact CZ-CD2 3.86Å; F129-Y153 HydrophobicContact CZ-CD2 3.86Å; S151-Y153 PolarHBondContact O-N 3.12Å; Y153-A155 PolarHBondContact O-N 3.06Å; Y153-C156 WeakPolarHBondContact O-CB 3.4Å; Y153-C156 PolarHBondContact O-N 3.44Å; Y153-V157 HydrophobicContact CD1-CG2 4.01Å; Y153-V157 HydrophobicContact CE1-CG2 3.54Å; Y153-V157 HydrophobicContact CE2-CG2 4.25Å; Y153-V157 WeakPolarHBondContact O-CG2 3.44Å; Y153-V157 PolarHBondContact O-N 3.13Å; Y153-G168 VanDerWaalsContact OH-CA 3.31Å; Y153-G168 WeakPolarHBondContact OH-CA 3.39Å; Y153-L169 HydrophobicContact CD2-CD1 3.68Å; Y153-L169 HydrophobicContact CD2-CG 4.23Å; Y153-L169 HydrophobicContact CE2-CB 4Å; Y153-L169 HydrophobicContact CE2-CD1 3.54Å; Y153-L169 HydrophobicContact CE2-CG 3.57Å; Y153-L169 HydrophobicContact CG-CD1 4.45Å; Y153-L169 PolarHBondContact OH-N 3.35Å; Y153-L174 HydrophobicContact CD1-CD2 3.71Å; Y153-L174 HydrophobicContact CE1-CD2 3.47Å; Y153-L174 VanDerWaalsContact CE1-CD2 3.47Å; Y153-L174 HydrophobicContact CG-CD2 4.36Å
154	A	65.4	Low	62.1	Low	32 Å²	32	77 Å²	77	26%	0.264	40%	0.399	S	S	.	.	H	α-helix	trans	-56.6	-46.7	173.6	0	0	0	0	0	113.4	A152 C156 V157 E158	A152-A154 PolarHBondContact O-N 2.71Å; A154-C156 VanDerWaalsContact C-N 3.28Å; A154-C156 PolarHBondContact O-N 3.32Å; A154-V157 PolarHBondContact O-N 2.84Å; A154-V157 VanDerWaalsContact O-N 3.16Å; A154-E158 WeakPolarHBondContact O-CB 3.31Å; A154-E158 PolarHBondContact O-N 3.19Å
155	A	65.2	Low	62.2	Low	35 Å²	35	72.3 Å²	72.3	29%	0.289	39%	0.386	S	S	.	.	H	α-helix	trans	-64.7	-33.4	177.6	0	0	0	0	0	112.2	A152 Y153 K159	A152-A155 HydrophobicContact CB-CB 4.42Å; A152-A155 WeakPolarHBondContact O-CA 3.37Å; A152-A155 WeakPolarHBondContact O-CB 3.43Å; A152-A155 PolarHBondContact O-N 3.28Å; Y153-A155 PolarHBondContact O-N 3.06Å; A155-K159 WeakPolarHBondContact O-CB 3.38Å; A155-K159 WeakPolarHBondContact O-CG 3.41Å; A155-K159 PolarHBondContact O-N 2.69Å; A155-K159 VanDerWaalsContact O-N 3.14Å
156	C	66.8	Low	62.5	Low	0 Å²	0	71 Å²	71	0%	0	37%	0.37	C	S	.	.	H	α-helix	trans	-66.5	-43.1	173.1	-171.9	0	0	0	0	111.4	F129 A152 Y153 A154 L160	F129-C156 HydrophobicContact CE2-CB 4.5Å; F129-C156 HydrophobicContact CZ-CB 4.03Å; A152-C156 PolarHBondContact O-N 3.2Å; Y153-C156 WeakPolarHBondContact O-CB 3.4Å; Y153-C156 PolarHBondContact O-N 3.44Å; A154-C156 VanDerWaalsContact C-N 3.28Å; A154-C156 PolarHBondContact O-N 3.32Å; C156-L160 WeakPolarHBondContact O-CB 3.35Å; C156-L160 VanDerWaalsContact O-CD1 3.31Å; C156-L160 WeakPolarHBondContact O-CD1 3.24Å; C156-L160 VanDerWaalsContact O-CG 3.25Å; C156-L160 WeakPolarHBondContact O-CG 3.39Å; C156-L160 PolarHBondContact O-N 2.96Å
157	V	68.9	Low	62.9	Low	53 Å²	53	73.9 Å²	73.9	32%	0.321	38%	0.383	S	S	.	.	H	α-helix	trans	-64.9	-43.6	176.9	178.6	0	0	0	0	111.1	Y153 A154 L160 F166	Y153-V157 HydrophobicContact CD1-CG2 4.01Å; Y153-V157 HydrophobicContact CE1-CG2 3.54Å; Y153-V157 HydrophobicContact CE2-CG2 4.25Å; Y153-V157 WeakPolarHBondContact O-CG2 3.44Å; Y153-V157 PolarHBondContact O-N 3.13Å; A154-V157 PolarHBondContact O-N 2.84Å; A154-V157 VanDerWaalsContact O-N 3.16Å; V157-L160 PolarHBondContact O-N 2.92Å; V157-F166 HydrophobicContact CB-CE1 4.35Å; V157-F166 HydrophobicContact CG1-CD1 4.48Å; V157-F166 HydrophobicContact CG1-CE1 4.08Å; V157-F166 HydrophobicContact CG2-CE1 3.67Å; V157-F166 HydrophobicContact CG2-CZ 3.72Å
158	E	67.8	Low	64	Low	140 Å²	140	70.9 Å²	70.9	65%	0.654	37%	0.367	S	S	*	.	H	α-helix	trans	-65.2	-38.8	-178.2	-171.7	-179.4	-178.3	0	0	112.6	A154 Q161	A154-E158 WeakPolarHBondContact O-CB 3.31Å; A154-E158 PolarHBondContact O-N 3.19Å; E158-Q161 WeakPolarHBondContact O-CG 3.35Å
159	K	68.7	Low	65.4	Low	100 Å²	100	62.9 Å²	62.9	44%	0.435	33%	0.332	S	S	.	.	H	α-helix	trans	-75.3	-25.8	176.5	-73	-175.2	175.5	-171.5	0	113.6	M142 M146 A155 Q161	M142-K159 HydrophobicContact CG-CB 4.48Å; M142-K159 HydrophobicContact SD-CB 4.14Å; M146-K159 HydrophobicContact CG-CD 4.36Å; A155-K159 WeakPolarHBondContact O-CB 3.38Å; A155-K159 WeakPolarHBondContact O-CG 3.41Å; A155-K159 PolarHBondContact O-N 2.69Å; A155-K159 VanDerWaalsContact O-N 3.14Å; K159-Q161 PolarHBondContact O-N 2.76Å
160	L	67.9	Low	67.1	Low	11 Å²	11	56.5 Å²	56.5	6%	0.058	30%	0.304	C	S	.	.			trans	-83.6	59.3	176.2	-74.7	165.9	0	0	0	110.4	V119 L139 M142 F143 C156 V157 F166	V119-L160 HydrophobicContact CG1-CD1 4.05Å; V119-L160 HydrophobicContact CG1-CD2 4.41Å; V119-L160 HydrophobicContact CG2-CD2 4.28Å; L139-L160 HydrophobicContact CD2-CD2 3.6Å; M142-L160 HydrophobicContact CE-CD2 3.36Å; M142-L160 HydrophobicContact CE-CG 3.92Å; F143-L160 HydrophobicContact CZ-CD1 4.48Å; F143-L160 HydrophobicContact CZ-CD2 4.4Å; C156-L160 WeakPolarHBondContact O-CB 3.35Å; C156-L160 VanDerWaalsContact O-CD1 3.31Å; C156-L160 WeakPolarHBondContact O-CD1 3.24Å; C156-L160 VanDerWaalsContact O-CG 3.25Å; C156-L160 WeakPolarHBondContact O-CG 3.39Å; C156-L160 PolarHBondContact O-N 2.96Å; V157-L160 PolarHBondContact O-N 2.92Å; L160-F166 HydrophobicContact CB-CD2 4.19Å; L160-F166 HydrophobicContact CD1-CD2 3.71Å; L160-F166 HydrophobicContact CD1-CE2 3.48Å; L160-F166 VanDerWaalsContact CD1-CE2 3.48Å; L160-F166 HydrophobicContact CD1-CZ 4.5Å
161	Q	59.2	Low	68.9	Low	133 Å²	133	53.5 Å²	53.5	62%	0.621	30%	0.296	S	S	*	.			trans	-81.2	160.2	173.1	-84.3	179.5	9.5	0	0	112.2	E158 K159	E158-Q161 WeakPolarHBondContact O-CG 3.35Å; K159-Q161 PolarHBondContact O-N 2.76Å
162	P	55	Low	70.5	Confident	112 Å²	112	53.3 Å²	53.3	73%	0.727	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.1	148	178.5	-26.9	34.8	0	0	0	112.8
163	P	61	Low	71.7	Confident	110 Å²	110	52.8 Å²	52.8	71%	0.714	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	cis	-89.3	6.2	25.8	32	-35.1	0	0	0	116.4	P116	P116-P163 WeakPolarHBondContact CB-O 3.15Å
164	V	69.4	Low	72.5	Confident	25 Å²	25	53.9 Å²	53.9	15%	0.152	30%	0.298	C	S	.	.	S	Bend	trans	-69.4	138.1	-178.2	-173.4	0	0	0	0	112.5	P117 V119 L139 F166	P117-V164 HydrophobicContact CG-CG1 4.41Å; P117-V164 HydrophobicContact CG-CG2 4.17Å; P117-V164 VanDerWaalsContact O-CG1 3.23Å; P117-V164 WeakPolarHBondContact O-CG1 3.49Å; V119-V164 HydrophobicContact CB-CG1 3.92Å; V119-V164 HydrophobicContact CG2-CG1 3.3Å; L139-V164 HydrophobicContact CD2-CG2 4.1Å; V164-F166 PolarHBondContact O-N 2.69Å
165	Q	70.1	Confident	73.3	Confident	104 Å²	104	58.1 Å²	58.1	49%	0.486	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	108.2	169.8	-176.4	176.7	1.9	0	0	109.4	P117 V118 V119	P117-Q165 PolarHBondContact O-N 3.26Å; V118-Q165 CarbonylContact C-O 3.59Å; V118-Q165 WeakPolarHBondContact CA-O 3.5Å; V118-Q165 HydrophobicContact CG2-CB 4.25Å; V119-Q165 PolarHBondContact N-O 3.41Å
166	F	75	Confident	74.1	Confident	55 Å²	55	57.2 Å²	57.2	24%	0.241	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	113.5	-176.3	-176.7	-105.8	0	0	0	112.5	V119 C121 V157 L160 V164 G168	V119-F166 HydrophobicContact CB-CD2 4.22Å; V119-F166 HydrophobicContact CG1-CD2 3.99Å; V119-F166 HydrophobicContact CG1-CE2 4.22Å; C121-F166 VanDerWaalsContact SG-CE2 3.51Å; V157-F166 HydrophobicContact CB-CE1 4.35Å; V157-F166 HydrophobicContact CG1-CD1 4.48Å; V157-F166 HydrophobicContact CG1-CE1 4.08Å; V157-F166 HydrophobicContact CG2-CE1 3.67Å; V157-F166 HydrophobicContact CG2-CZ 3.72Å; L160-F166 HydrophobicContact CB-CD2 4.19Å; L160-F166 HydrophobicContact CD1-CD2 3.71Å; L160-F166 HydrophobicContact CD1-CE2 3.48Å; L160-F166 VanDerWaalsContact CD1-CE2 3.48Å; L160-F166 HydrophobicContact CD1-CZ 4.5Å; V164-F166 PolarHBondContact O-N 2.69Å; F166-G168 VanDerWaalsContact CE1-CA 3.46Å
167	E	76.1	Confident	74.4	Confident	76 Å²	76	57.9 Å²	57.9	36%	0.355	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99	94.3	168.5	-70.6	178.8	-169.9	0	0	109.1	V118 V119 R120 C121	V118-E167 HydrophobicContact CG1-CG 4.39Å; V119-E167 PolarHBondContact O-N 3.47Å; R120-E167 WeakPolarHBondContact CA-O 3.15Å; R120-E167 WeakPolarHBondContact CD-OE2 3.46Å; R120-E167 HydrophobicContact CG-CB 4.14Å; R120-E167 WeakPolarHBondContact CG-OE2 3.49Å; R120-E167 IonicContact CZ-OE2 2.59Å; R120-E167 IonicContact NE-OE1 3.82Å; R120-E167 IonicContact NE-OE2 3.83Å; R120-E167 PolarHBondContact NE-OE2 3.33Å; R120-E167 IonicContact NH2-OE1 3.73Å; R120-E167 IonicContact NH2-OE2 2.73Å; C121-E167 PolarHBondContact N-O 3.47Å
168	G	80.3	Confident	74.6	Confident	19 Å²	19	61.1 Å²	61.1	20%	0.196	31%	0.311	C	S	.	.			trans	-68.7	-178.7	-179	0	0	0	0	0	115.3	Y153 F166 R380	Y153-G168 VanDerWaalsContact OH-CA 3.31Å; Y153-G168 WeakPolarHBondContact OH-CA 3.39Å; F166-G168 VanDerWaalsContact CE1-CA 3.46Å; G168-R380 PolarHBondContact O-NH1 3.36Å
169	L	84.4	Confident	74.6	Confident	10 Å²	10	55.5 Å²	55.5	5%	0.052	29%	0.291	C	S	.	.			trans	-63.3	146.4	170.4	-71.1	177.2	0	0	0	111	C121 L123 F129 Y153 A173 L174 L177	C121-L169 HydrophobicContact CB-CD2 3.95Å; C121-L169 HydrophobicContact CB-CG 3.9Å; L123-L169 HydrophobicContact CB-CD2 4.29Å; F129-L169 HydrophobicContact CB-CD1 4.07Å; F129-L169 HydrophobicContact CB-CD2 4.37Å; F129-L169 HydrophobicContact CG-CD1 4.33Å; Y153-L169 HydrophobicContact CD2-CD1 3.68Å; Y153-L169 HydrophobicContact CD2-CG 4.23Å; Y153-L169 HydrophobicContact CE2-CB 4Å; Y153-L169 HydrophobicContact CE2-CD1 3.54Å; Y153-L169 HydrophobicContact CE2-CG 3.57Å; Y153-L169 HydrophobicContact CG-CD1 4.45Å; Y153-L169 PolarHBondContact OH-N 3.35Å; L169-A173 HydrophobicContact CB-CB 4.21Å; L169-A173 HydrophobicContact CD2-CB 4.44Å; L169-L174 HydrophobicContact CB-CD2 3.95Å; L169-L174 HydrophobicContact CB-CG 4.17Å; L169-L174 HydrophobicContact CD1-CD2 4.19Å; L169-L177 HydrophobicContact CD1-CD1 3.38Å
170	P	85	Confident	74.4	Confident	9 Å²	9	58 Å²	58	6%	0.058	30%	0.304	C	S	.	.			trans	-69.7	154.3	179.7	31.4	-30.3	0	0	0	109.1	V172 A173 L174 L409	P170-V172 PolarHBondContact O-N 3.43Å; P170-A173 VanDerWaalsContact CD-CB 3.47Å; P170-A173 HydrophobicContact CG-CB 3.66Å; P170-A173 PolarHBondContact O-N 3.03Å; P170-L174 PolarHBondContact O-N 2.84Å; P170-L174 VanDerWaalsContact O-N 3.09Å; P170-L409 HydrophobicContact CG-CD1 4.42Å
171	P	83.8	Confident	74.2	Confident	56 Å²	56	65.8 Å²	65.8	36%	0.364	34%	0.338	S	S	.	.	H	α-helix	trans	-52.9	-32.6	179.9	-27.4	34.8	0	0	0	113.8	L174 R175	P171-L174 PolarHBondContact O-N 2.91Å; P171-R175 PolarHBondContact O-N 2.99Å
172	V	83.8	Confident	75.1	Confident	2 Å²	2	61 Å²	61	1%	0.012	32%	0.321	C	S	.	.	H	α-helix	trans	-65.5	-46.3	175.9	-171.5	0	0	0	0	111.9	P170 L174 R175 V176 I370 F371 L409	P170-V172 PolarHBondContact O-N 3.43Å; V172-L174 VanDerWaalsContact C-N 3.28Å; V172-L174 PolarHBondContact O-N 3.07Å; V172-R175 WeakPolarHBondContact O-CB 3.32Å; V172-R175 PolarHBondContact O-N 3.47Å; V172-R175 VanDerWaalsContact O-N 3.08Å; V172-V176 WeakPolarHBondContact O-CG2 3.39Å; V172-V176 PolarHBondContact O-N 3.07Å; V172-I370 HydrophobicContact CB-CG1 4.49Å; V172-I370 HydrophobicContact CG1-CD1 4.15Å; V172-I370 HydrophobicContact CG1-CG1 3.7Å; V172-I370 HydrophobicContact CG2-CG1 3.88Å; V172-I370 WeakPolarHBondContact CG2-O 3.47Å; V172-F371 HydrophobicContact CG2-CD1 4.38Å; V172-F371 HydrophobicContact CG2-CE1 4.18Å; V172-L409 HydrophobicContact CB-CD1 4.47Å; V172-L409 HydrophobicContact CG1-CD1 4.4Å; V172-L409 HydrophobicContact CG1-CD2 4.16Å
173	A	85.4	Confident	76.6	Confident	0 Å²	0	60.6 Å²	60.6	0%	0	31%	0.305	C	S	.	.	H	α-helix	trans	-63.9	-38.7	177.6	0	0	0	0	0	111.1	L123 L169 P170 R175 V176 L177 L409	L123-A173 HydrophobicContact CB-CB 4.24Å; L123-A173 HydrophobicContact CD2-CB 4.05Å; L169-A173 HydrophobicContact CB-CB 4.21Å; L169-A173 HydrophobicContact CD2-CB 4.44Å; P170-A173 VanDerWaalsContact CD-CB 3.47Å; P170-A173 HydrophobicContact CG-CB 3.66Å; P170-A173 PolarHBondContact O-N 3.03Å; A173-R175 VanDerWaalsContact C-N 3.28Å; A173-R175 PolarHBondContact O-N 3.21Å; A173-V176 PolarHBondContact O-N 3.4Å; A173-L177 WeakPolarHBondContact O-CB 3.49Å; A173-L177 WeakPolarHBondContact O-CG 3.16Å; A173-L177 PolarHBondContact O-N 2.82Å; A173-L409 HydrophobicContact CB-CD2 3.89Å
174	L	84.2	Confident	78	Confident	50 Å²	50	61 Å²	61	26%	0.262	31%	0.308	S	S	.	.	H	α-helix	trans	-61.4	-37.7	173.2	-63.3	176.4	0	0	0	111.7	Y153 L169 P170 P171 V172 K178	Y153-L174 HydrophobicContact CD1-CD2 3.71Å; Y153-L174 HydrophobicContact CE1-CD2 3.47Å; Y153-L174 VanDerWaalsContact CE1-CD2 3.47Å; Y153-L174 HydrophobicContact CG-CD2 4.36Å; L169-L174 HydrophobicContact CB-CD2 3.95Å; L169-L174 HydrophobicContact CB-CG 4.17Å; L169-L174 HydrophobicContact CD1-CD2 4.19Å; P170-L174 PolarHBondContact O-N 2.84Å; P170-L174 VanDerWaalsContact O-N 3.09Å; P171-L174 PolarHBondContact O-N 2.91Å; V172-L174 VanDerWaalsContact C-N 3.28Å; V172-L174 PolarHBondContact O-N 3.07Å; L174-K178 VanDerWaalsContact O-CB 3.26Å; L174-K178 WeakPolarHBondContact O-CB 3.42Å; L174-K178 WeakPolarHBondContact O-CG 3.24Å; L174-K178 PolarHBondContact O-N 3.47Å
175	R	81.3	Confident	79.1	Confident	121 Å²	121	60.4 Å²	60.4	46%	0.457	30%	0.304	S	S	.	.	H	α-helix	trans	-66	-40.9	174.9	-164.8	-174.6	-59.8	155.4	2.1	112.1	P171 V172 A173 K178	P171-R175 PolarHBondContact O-N 2.99Å; V172-R175 WeakPolarHBondContact O-CB 3.32Å; V172-R175 PolarHBondContact O-N 3.47Å; V172-R175 VanDerWaalsContact O-N 3.08Å; A173-R175 VanDerWaalsContact C-N 3.28Å; A173-R175 PolarHBondContact O-N 3.21Å; R175-K178 PolarHBondContact O-N 2.79Å
176	V	81.4	Confident	80.2	Confident	15 Å²	15	58 Å²	58	9%	0.091	30%	0.298	C	S	.	.	H	α-helix	trans	-64.8	-47.1	176	172.4	0	0	0	0	110.8	L123 V172 A173 K178 G179 L409 E412 T413	L123-V176 HydrophobicContact CD2-CG1 4.39Å; V172-V176 WeakPolarHBondContact O-CG2 3.39Å; V172-V176 PolarHBondContact O-N 3.07Å; A173-V176 PolarHBondContact O-N 3.4Å; V176-K178 VanDerWaalsContact C-N 3.35Å; V176-K178 PolarHBondContact O-N 2.86Å; V176-G179 PolarHBondContact O-N 2.87Å; V176-G179 VanDerWaalsContact O-N 3.11Å; V176-L409 HydrophobicContact CB-CD2 4.34Å; V176-L409 HydrophobicContact CG2-CD2 3.89Å; V176-E412 HydrophobicContact CG1-CB 3.95Å; V176-E412 HydrophobicContact CG1-CG 4.03Å; V176-E412 HydrophobicContact CG2-CB 4.33Å; V176-T413 HydrophobicContact CG2-CG2 3.79Å
177	L	73.5	Confident	81	Confident	14 Å²	14	59.2 Å²	59.2	7%	0.073	31%	0.308	C	S	.	.	H	α-helix	trans	-61.7	-39.2	175.6	-74.6	179.2	0	0	0	112.5	L13 L123 R126 L169 A173 G179	L13-L177 HydrophobicContact CD1-CD1 4.17Å; L13-L177 HydrophobicContact CD2-CD2 3.8Å; L123-L177 HydrophobicContact CD1-CD1 3.85Å; L123-L177 HydrophobicContact CD1-CD2 3.42Å; L123-L177 VanDerWaalsContact CD1-CD2 3.42Å; L123-L177 HydrophobicContact CD1-CG 3.58Å; R126-L177 WeakPolarHBondContact O-CD2 3.43Å; L169-L177 HydrophobicContact CD1-CD1 3.38Å; A173-L177 WeakPolarHBondContact O-CB 3.49Å; A173-L177 WeakPolarHBondContact O-CG 3.16Å; A173-L177 PolarHBondContact O-N 2.82Å; L177-G179 PolarHBondContact O-N 2.87Å
178	K	74.1	Confident	81.7	Confident	121 Å²	121	62.1 Å²	62.1	53%	0.526	32%	0.321	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.4	-8.6	176.4	-78.8	174.9	-177.9	-168.6	0	113.4	I10 L174 R175 V176 Q180	I10-K178 HydrophobicContact CD1-CG 4.04Å; I10-K178 HydrophobicContact CG1-CG 4.27Å; L174-K178 VanDerWaalsContact O-CB 3.26Å; L174-K178 WeakPolarHBondContact O-CB 3.42Å; L174-K178 WeakPolarHBondContact O-CG 3.24Å; L174-K178 PolarHBondContact O-N 3.47Å; R175-K178 PolarHBondContact O-N 2.79Å; V176-K178 VanDerWaalsContact C-N 3.35Å; V176-K178 PolarHBondContact O-N 2.86Å; K178-Q180 PolarHBondContact O-N 2.91Å
179	G	66.7	Low	82.3	Confident	23 Å²	23	63.1 Å²	63.1	24%	0.237	32%	0.321	C	S	.	.	T	Hydrogen-bonded Turn	trans	70.3	30.1	166	0	0	0	0	0	114.7	V176 L177 K181	V176-G179 PolarHBondContact O-N 2.87Å; V176-G179 VanDerWaalsContact O-N 3.11Å; L177-G179 PolarHBondContact O-N 2.87Å; G179-K181 VanDerWaalsContact C-N 3.25Å; G179-K181 PolarHBondContact O-N 2.91Å
180	Q	64.3	Low	82.7	Confident	152 Å²	152	62.7 Å²	62.7	71%	0.71	32%	0.319	S	S	*	.			trans	-58.1	96	163.7	-77.8	-174.8	-22.2	0	0	107.9	K178	K178-Q180 PolarHBondContact O-N 2.91Å
181	K	65	Low	82.9	Confident	174 Å²	174	67.8 Å²	67.8	76%	0.757	34%	0.342	S	S	*	.	P	Polyproline II helix	trans	-65.5	142.9	-179.3	-73.6	-175.9	178.9	-180	0	108.3	G179	G179-K181 VanDerWaalsContact C-N 3.25Å; G179-K181 PolarHBondContact O-N 2.91Å
182	A	77.2	Confident	83.2	Confident	33 Å²	33	69.2 Å²	69.2	27%	0.273	35%	0.353	S	S	.	.	P	Polyproline II helix	trans	-56.3	156.2	171	0	0	0	0	0	109.9
183	R	86.7	Confident	83.4	Confident	104 Å²	104	69.9 Å²	69.9	39%	0.392	36%	0.356	S	S	.	.	P	Polyproline II helix	trans	-55.9	126	175.2	171.7	-177.5	170.7	-151.3	-7.9	108.7	E189 S214	R183-E189 IonicContact CZ-OE1 3.14Å; R183-E189 IonicContact CZ-OE2 3.46Å; R183-E189 IonicContact NH1-OE1 2.68Å; R183-E189 VanDerWaalsContact NH2-CD 3.29Å; R183-E189 IonicContact NH2-OE1 2.85Å; R183-E189 PolarHBondContact NH2-OE1 2.8Å; R183-E189 IonicContact NH2-OE2 2.75Å; R183-E189 PolarHBondContact NH2-OE2 3.45Å; R183-E189 VanDerWaalsContact NH2-OE2 3.11Å; R183-S214 PolarHBondContact N-O 2.83Å; R183-S214 VanDerWaalsContact O-CB 3.27Å; R183-S214 WeakPolarHBondContact O-CB 3.29Å
184	P	89.2	Confident	83.5	Confident	119 Å²	119	71.4 Å²	71.4	77%	0.773	37%	0.365	S	S	*	.	P	Polyproline II helix	trans	-65.8	135.6	171.7	28.6	-32.7	0	0	0	108.8
185	V	93.6	Very high	83.7	Confident	11 Å²	11	73.7 Å²	73.7	7%	0.067	38%	0.384	C	S	.	.			trans	-122.2	124.7	178.4	178.7	0	0	0	0	105.8	E189 L190 R210 I213	V185-E189 HydrophobicContact CG1-CB 4.4Å; V185-E189 HydrophobicContact CG1-CG 4.27Å; V185-L190 HydrophobicContact CG1-CD2 3.78Å; V185-L190 HydrophobicContact CG1-CG 4.06Å; V185-R210 HydrophobicContact CB-CG 3.79Å; V185-R210 HydrophobicContact CG1-CG 4.1Å; V185-R210 HydrophobicContact CG2-CG 4.47Å; V185-R210 VanDerWaalsContact O-CZ 3.22Å; V185-R210 PolarHBondContact O-NE 3.29Å; V185-R210 PolarHBondContact O-NH2 3.4Å; V185-I213 HydrophobicContact CG1-CB 4.39Å; V185-I213 HydrophobicContact CG1-CD1 4.41Å; V185-I213 HydrophobicContact CG1-CG2 4.09Å; V185-I213 HydrophobicContact CG2-CB 3.98Å; V185-I213 HydrophobicContact CG2-CG2 3.59Å
186	S	93.3	Very high	84.2	Confident	53 Å²	53	70.2 Å²	70.2	37%	0.371	38%	0.377	S	S	.	.			trans	-83.7	165	-178.6	83.2	0	0	0	0	111.2	E188 E189 L190	S186-E188 VanDerWaalsContact C-N 3.34Å; S186-E188 WeakPolarHBondContact CB-OE2 3.46Å; S186-E188 PolarHBondContact OG-OE2 3.01Å; S186-E189 PolarHBondContact O-N 2.94Å; S186-E189 PolarHBondContact OG-N 3.38Å; S186-L190 WeakPolarHBondContact O-CG 3.42Å; S186-L190 PolarHBondContact O-N 3.42Å
187	D	91.8	Very high	84.8	Confident	82 Å²	82	69.5 Å²	69.5	44%	0.439	37%	0.372	S	S	.	.	H	α-helix	trans	-70.8	-34.3	178.3	-69	-35.6	0	0	0	111.2	E189 L190 E191 R210	D187-E189 VanDerWaalsContact C-N 3.28Å; D187-E189 PolarHBondContact O-N 3.46Å; D187-L190 WeakPolarHBondContact O-CB 3.3Å; D187-L190 PolarHBondContact O-N 2.86Å; D187-E191 WeakPolarHBondContact O-CG 2.83Å; D187-E191 PolarHBondContact O-N 3.26Å; D187-R210 IonicContact OD1-CZ 3.06Å; D187-R210 IonicContact OD1-NH1 2.69Å; D187-R210 PolarHBondContact OD1-NH1 3.4Å; D187-R210 IonicContact OD1-NH2 3.57Å; D187-R210 PolarHBondContact OD1-NH2 3.33Å; D187-R210 IonicContact OD2-NH2 3.2Å
188	E	90.8	Very high	85.8	Confident	137 Å²	137	70.1 Å²	70.1	64%	0.64	37%	0.374	S	S	*	.	H	α-helix	trans	-62.8	-35.9	176.1	-52.1	79.4	-171.7	0	0	111.7	S186 L190 E191 S192	S186-E188 VanDerWaalsContact C-N 3.34Å; S186-E188 WeakPolarHBondContact CB-OE2 3.46Å; S186-E188 PolarHBondContact OG-OE2 3.01Å; E188-L190 VanDerWaalsContact C-N 3.34Å; E188-E191 PolarHBondContact O-N 3.16Å; E188-S192 PolarHBondContact O-N 2.98Å; E188-S192 VanDerWaalsContact O-N 3.1Å
189	E	93.6	Very high	86.7	Confident	40 Å²	40	67.3 Å²	67.3	19%	0.187	38%	0.379	C	S	.	.	H	α-helix	trans	-66.5	-36.3	174.9	178.9	170.5	-162.6	0	0	111.7	R183 V185 S186 D187 S192 Y239	R183-E189 IonicContact CZ-OE1 3.14Å; R183-E189 IonicContact CZ-OE2 3.46Å; R183-E189 IonicContact NH1-OE1 2.68Å; R183-E189 VanDerWaalsContact NH2-CD 3.29Å; R183-E189 IonicContact NH2-OE1 2.85Å; R183-E189 PolarHBondContact NH2-OE1 2.8Å; R183-E189 IonicContact NH2-OE2 2.75Å; R183-E189 PolarHBondContact NH2-OE2 3.45Å; R183-E189 VanDerWaalsContact NH2-OE2 3.11Å; V185-E189 HydrophobicContact CG1-CB 4.4Å; V185-E189 HydrophobicContact CG1-CG 4.27Å; S186-E189 PolarHBondContact O-N 2.94Å; S186-E189 PolarHBondContact OG-N 3.38Å; D187-E189 VanDerWaalsContact C-N 3.28Å; D187-E189 PolarHBondContact O-N 3.46Å; E189-S192 PolarHBondContact O-OG 3.39Å; E189-Y239 HydrophobicContact CG-CE2 3.9Å; E189-Y239 PolarHBondContact OE1-OH 2.92Å
190	L	91.5	Very high	87.9	Confident	1 Å²	1	69 Å²	69	1%	0.005	38%	0.378	C	S	.	.	H	α-helix	trans	-70.9	-38.6	175.7	-61.9	176.9	0	0	0	111.4	V185 S186 D187 E188 S192 I193 Y198 L209 R210 I213	V185-L190 HydrophobicContact CG1-CD2 3.78Å; V185-L190 HydrophobicContact CG1-CG 4.06Å; S186-L190 WeakPolarHBondContact O-CG 3.42Å; S186-L190 PolarHBondContact O-N 3.42Å; D187-L190 WeakPolarHBondContact O-CB 3.3Å; D187-L190 PolarHBondContact O-N 2.86Å; E188-L190 VanDerWaalsContact C-N 3.34Å; L190-S192 VanDerWaalsContact C-N 3.26Å; L190-S192 PolarHBondContact O-N 3.44Å; L190-I193 WeakPolarHBondContact O-CG1 3.38Å; L190-Y198 HydrophobicContact CB-CE2 3.88Å; L190-L209 HydrophobicContact CD2-CB 4.49Å; L190-L209 HydrophobicContact CD2-CD2 3.94Å; L190-L209 HydrophobicContact CD2-CG 3.86Å; L190-R210 HydrophobicContact CD1-CB 4Å; L190-R210 HydrophobicContact CD1-CG 4.2Å; L190-R210 HydrophobicContact CD2-CB 4.27Å; L190-I213 HydrophobicContact CD2-CD1 3.63Å
191	E	90.7	Very high	89.3	Confident	115 Å²	115	62.2 Å²	62.2	54%	0.537	35%	0.347	S	S	.	.	H	α-helix	trans	-71.1	-17.5	179.2	-74.7	173.7	-173.6	0	0	113.8	D187 E188 I193 Y198	D187-E191 WeakPolarHBondContact O-CG 2.83Å; D187-E191 PolarHBondContact O-N 3.26Å; E188-E191 PolarHBondContact O-N 3.16Å; E191-I193 PolarHBondContact O-N 2.97Å; E191-Y198 HydrophobicContact CB-CE1 4.38Å; E191-Y198 HydrophobicContact CG-CD1 4.27Å; E191-Y198 HydrophobicContact CG-CE1 3.44Å; E191-Y198 VanDerWaalsContact CG-CE1 3.44Å
192	S	88.2	Confident	90.6	Very high	87 Å²	87	57.7 Å²	57.7	61%	0.608	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.7	-11.4	178.3	75.1	0	0	0	0	115.2	E188 E189 L190	E188-S192 PolarHBondContact O-N 2.98Å; E188-S192 VanDerWaalsContact O-N 3.1Å; E189-S192 PolarHBondContact O-OG 3.39Å; L190-S192 VanDerWaalsContact C-N 3.26Å; L190-S192 PolarHBondContact O-N 3.44Å
193	I	89.3	Confident	91.3	Very high	16 Å²	16	60.9 Å²	60.9	8%	0.082	34%	0.34	C	S	.	.	S	Bend	trans	-73.3	172.9	175.5	76.4	177.7	0	0	0	110.4	L190 E191 S195 I197 Y198 L209 A235 Y239	L190-I193 WeakPolarHBondContact O-CG1 3.38Å; E191-I193 PolarHBondContact O-N 2.97Å; I193-S195 PolarHBondContact O-N 2.92Å; I193-S195 VanDerWaalsContact O-N 3.11Å; I193-I197 HydrophobicContact CD1-CG2 3.88Å; I193-I197 HydrophobicContact CG1-CG2 4.25Å; I193-Y198 HydrophobicContact CD1-CD2 3.9Å; I193-Y198 HydrophobicContact CD1-CG 4.33Å; I193-Y198 HydrophobicContact CG1-CD2 4.15Å; I193-Y198 HydrophobicContact CG1-CG 4.24Å; I193-L209 HydrophobicContact CD1-CD2 3.69Å; I193-A235 HydrophobicContact CD1-CB 4.23Å; I193-Y239 HydrophobicContact CG2-CD2 3.75Å; I193-Y239 HydrophobicContact CG2-CG 4.26Å
194	D	87.4	Confident	91.7	Very high	32 Å²	32	56 Å²	56	17%	0.171	32%	0.321	C	S	.	.			trans	-49.4	121.7	175.6	-170.6	-44.9	0	0	0	111.1	T196 I197 Y198 V238 S268	D194-T196 PolarHBondContact O-N 2.84Å; D194-T196 VanDerWaalsContact O-N 3.14Å; D194-T196 WeakPolarHBondContact OD1-CB 3.28Å; D194-T196 PolarHBondContact OD1-N 3.38Å; D194-T196 PolarHBondContact OD1-OG1 3.24Å; D194-I197 HydrophobicContact CB-CG2 4.08Å; D194-I197 WeakPolarHBondContact O-CG2 3.41Å; D194-I197 PolarHBondContact O-N 3.14Å; D194-Y198 PolarHBondContact O-N 3.01Å; D194-Y198 VanDerWaalsContact O-N 3.08Å; D194-V238 HydrophobicContact CB-CG1 4.13Å; D194-S268 WeakPolarHBondContact OD2-CB 3.3Å; D194-S268 PolarHBondContact OD2-OG 2.75Å
195	S	88.8	Confident	92	Very high	97 Å²	97	50.7 Å²	50.7	68%	0.678	29%	0.286	S	S	*	.	H	α-helix	trans	-61.1	-26.5	-174.8	57	0	0	0	0	112.2	I193 G199	I193-S195 PolarHBondContact O-N 2.92Å; I193-S195 VanDerWaalsContact O-N 3.11Å; S195-G199 PolarHBondContact O-N 3.01Å
196	T	91.4	Very high	92.1	Very high	48 Å²	48	52.7 Å²	52.7	29%	0.294	29%	0.294	S	S	.	.	H	α-helix	trans	-65.4	-52.4	178.1	-44.7	0	0	0	0	111.1	D194 R200 P267	D194-T196 PolarHBondContact O-N 2.84Å; D194-T196 VanDerWaalsContact O-N 3.14Å; D194-T196 WeakPolarHBondContact OD1-CB 3.28Å; D194-T196 PolarHBondContact OD1-N 3.38Å; D194-T196 PolarHBondContact OD1-OG1 3.24Å; T196-R200 WeakPolarHBondContact O-CG 3.37Å; T196-P267 HydrophobicContact CG2-CG 3.98Å; T196-P267 WeakPolarHBondContact OG1-CG 3.31Å
197	I	93.9	Very high	92.2	Very high	0 Å²	0	54.8 Å²	54.8	0%	0	30%	0.297	C	S	.	.	H	α-helix	trans	-71.3	-41.5	-178.7	-165.5	162.1	0	0	0	110.6	I193 D194 G199 R200 L201 I231 L234 A235 V238 N265 V266	I193-I197 HydrophobicContact CD1-CG2 3.88Å; I193-I197 HydrophobicContact CG1-CG2 4.25Å; D194-I197 HydrophobicContact CB-CG2 4.08Å; D194-I197 WeakPolarHBondContact O-CG2 3.41Å; D194-I197 PolarHBondContact O-N 3.14Å; I197-G199 VanDerWaalsContact C-N 3.35Å; I197-G199 PolarHBondContact O-N 3.47Å; I197-R200 PolarHBondContact O-N 3.09Å; I197-L201 PolarHBondContact O-N 3.39Å; I197-I231 HydrophobicContact CD1-CG1 4.36Å; I197-I231 HydrophobicContact CG1-CD1 4.49Å; I197-I231 HydrophobicContact CG1-CG1 4.1Å; I197-L234 HydrophobicContact CD1-CB 3.75Å; I197-A235 HydrophobicContact CD1-CB 4.07Å; I197-A235 HydrophobicContact CG1-CB 4.2Å; I197-V238 HydrophobicContact CD1-CG2 4.49Å; I197-N265 WeakPolarHBondContact CB-O 3.37Å; I197-N265 HydrophobicContact CD1-CB 4.13Å; I197-N265 HydrophobicContact CG1-CB 4.24Å; I197-V266 HydrophobicContact CD1-CG2 4.26Å
198	Y	94.2	Very high	92.4	Very high	28 Å²	28	50.9 Å²	50.9	11%	0.11	28%	0.276	C	S	.	.	H	α-helix	trans	-63.1	-40.8	-179.5	-172.7	-108.9	0	0	0	112.6	L190 E191 I193 D194 R200 L201 K206	L190-Y198 HydrophobicContact CB-CE2 3.88Å; E191-Y198 HydrophobicContact CB-CE1 4.38Å; E191-Y198 HydrophobicContact CG-CD1 4.27Å; E191-Y198 HydrophobicContact CG-CE1 3.44Å; E191-Y198 VanDerWaalsContact CG-CE1 3.44Å; I193-Y198 HydrophobicContact CD1-CD2 3.9Å; I193-Y198 HydrophobicContact CD1-CG 4.33Å; I193-Y198 HydrophobicContact CG1-CD2 4.15Å; I193-Y198 HydrophobicContact CG1-CG 4.24Å; D194-Y198 PolarHBondContact O-N 3.01Å; D194-Y198 VanDerWaalsContact O-N 3.08Å; Y198-R200 PolarHBondContact O-N 3.02Å; Y198-L201 HydrophobicContact CD2-CD1 4.32Å; Y198-L201 PolarHBondContact O-N 3.02Å; Y198-K206 HydrophobicContact CE1-CD 4.47Å; Y198-K206 HydrophobicContact CE2-CD 3.93Å; Y198-K206 HydrophobicContact CE2-CG 3.95Å
199	G	92.9	Very high	92.7	Very high	61 Å²	61	44.3 Å²	44.3	63%	0.629	25%	0.246	S	C	*	.	H	α-helix	trans	-65.3	-22.4	178.5	0	0	0	0	0	114	S195 I197	S195-G199 PolarHBondContact O-N 3.01Å; I197-G199 VanDerWaalsContact C-N 3.35Å; I197-G199 PolarHBondContact O-N 3.47Å
200	R	91.8	Very high	92.9	Very high	59 Å²	59	45.5 Å²	45.5	22%	0.223	25%	0.249	C	C	.	.	H	α-helix	trans	-87.5	-13.7	177.6	-69.6	177.9	-178.7	-156.5	-2	113.9	T196 I197 Y198 I231 E264 N265 A632	T196-R200 WeakPolarHBondContact O-CG 3.37Å; I197-R200 PolarHBondContact O-N 3.09Å; Y198-R200 PolarHBondContact O-N 3.02Å; R200-I231 HydrophobicContact CB-CD1 3.9Å; R200-E264 IonicContact CZ-OE1 3.81Å; R200-E264 PolarHBondContact NH1-O 2.74Å; R200-E264 IonicContact NH1-OE1 2.67Å; R200-E264 PolarHBondContact NH1-OE1 3.28Å; R200-E264 PolarHBondContact NH2-O 3.17Å; R200-E264 IonicContact NH2-OE1 3.57Å; R200-N265 WeakPolarHBondContact CD-OD1 3.38Å; R200-N265 PolarHBondContact NH1-OD1 3.26Å; R200-A632 PolarHBondContact NE-O 3.18Å; R200-A632 PolarHBondContact NH1-O 2.93Å
201	L	93.6	Very high	93.1	Very high	10 Å²	10	47 Å²	47	5%	0.052	26%	0.255	C	S	.	.	S	Bend	trans	-73.8	130.2	180	-63.2	-179.5	0	0	0	111.1	I197 Y198 Q205 K206 L209 I231 A235	I197-L201 PolarHBondContact O-N 3.39Å; Y198-L201 HydrophobicContact CD2-CD1 4.32Å; Y198-L201 PolarHBondContact O-N 3.02Å; L201-Q205 HydrophobicContact CB-CB 4.04Å; L201-Q205 HydrophobicContact CD2-CB 4.02Å; L201-K206 HydrophobicContact CB-CG 3.81Å; L201-K206 HydrophobicContact CD1-CG 4.29Å; L201-K206 WeakPolarHBondContact O-CE 3.45Å; L201-L209 HydrophobicContact CD1-CD2 4.28Å; L201-I231 HydrophobicContact CD2-CB 4.36Å; L201-I231 HydrophobicContact CD2-CD1 4.12Å; L201-I231 HydrophobicContact CD2-CG1 3.8Å; L201-I231 HydrophobicContact CD2-CG2 3.91Å; L201-A235 HydrophobicContact CD1-CB 3.89Å; L201-A235 HydrophobicContact CD2-CB 4.32Å
202	F	92.7	Very high	93.4	Very high	78 Å²	78	41.6 Å²	41.6	34%	0.342	23%	0.23	S	C	.	.			trans	-62.2	160.2	163.5	-65.3	-62.7	0	0	0	111	F204 Q205 K206	F202-F204 VanDerWaalsContact C-N 3.33Å; F202-F204 HydrophobicContact CB-CD1 3.6Å; F202-F204 HydrophobicContact CB-CE1 3.4Å; F202-F204 VanDerWaalsContact CB-CE1 3.4Å; F202-F204 HydrophobicContact CB-CZ 4.2Å; F202-F204 AromaticContact CD2-CE1 3.71Å; F202-F204 HydrophobicContact CD2-CE1 3.71Å; F202-F204 HydrophobicContact CD2-CZ 4.02Å; F202-F204 HydrophobicContact CG-CD1 4.41Å; F202-F204 AromaticContact CG-CE1 3.79Å; F202-F204 HydrophobicContact CG-CE1 3.79Å; F202-F204 HydrophobicContact CG-CZ 4.49Å; F202-F204 PolarHBondContact O-N 2.91Å; F202-Q205 HydrophobicContact CB-CG 4.13Å; F202-Q205 CarbonylContact O-C 3.58Å; F202-Q205 WeakPolarHBondContact O-CA 3.17Å; F202-Q205 WeakPolarHBondContact O-CB 3.34Å; F202-Q205 PolarHBondContact O-N 3.27Å; F202-K206 PolarHBondContact O-N 3.08Å
203	L	93	Very high	93.8	Very high	101 Å²	101	37.4 Å²	37.4	53%	0.529	20%	0.201	S	C	.	.	H	α-helix	trans	-58.3	-45	-177.5	177.2	63.8	0	0	0	111.7	Q205 K206 H207 E426	L203-Q205 VanDerWaalsContact C-N 3.27Å; L203-Q205 PolarHBondContact O-N 3.47Å; L203-K206 WeakPolarHBondContact O-CB 3.28Å; L203-K206 PolarHBondContact O-N 2.88Å; L203-K206 VanDerWaalsContact O-N 3.14Å; L203-H207 PolarHBondContact O-N 3.29Å; L203-E426 WeakPolarHBondContact CB-OE2 3.41Å
204	F	94.1	Very high	94.1	Very high	2 Å²	2	37.5 Å²	37.5	1%	0.009	20%	0.203	C	C	.	.	H	α-helix	trans	-59.3	-38.1	172.8	77.3	-93.1	0	0	0	111.8	F202 K206 H207 A208 L227 R418 V423 E426 L427	F202-F204 VanDerWaalsContact C-N 3.33Å; F202-F204 HydrophobicContact CB-CD1 3.6Å; F202-F204 HydrophobicContact CB-CE1 3.4Å; F202-F204 VanDerWaalsContact CB-CE1 3.4Å; F202-F204 HydrophobicContact CB-CZ 4.2Å; F202-F204 AromaticContact CD2-CE1 3.71Å; F202-F204 HydrophobicContact CD2-CE1 3.71Å; F202-F204 HydrophobicContact CD2-CZ 4.02Å; F202-F204 HydrophobicContact CG-CD1 4.41Å; F202-F204 AromaticContact CG-CE1 3.79Å; F202-F204 HydrophobicContact CG-CE1 3.79Å; F202-F204 HydrophobicContact CG-CZ 4.49Å; F202-F204 PolarHBondContact O-N 2.91Å; F204-K206 VanDerWaalsContact C-N 3.33Å; F204-K206 PolarHBondContact O-N 2.93Å; F204-H207 CarbonylContact O-C 3.47Å; F204-H207 WeakPolarHBondContact O-CA 3.38Å; F204-H207 VanDerWaalsContact O-CB 3.3Å; F204-H207 WeakPolarHBondContact O-CB 3.26Å; F204-H207 PolarHBondContact O-N 3.4Å; F204-H207 VanDerWaalsContact O-N 3.09Å; F204-A208 PolarHBondContact O-N 3.2Å; F204-L227 HydrophobicContact CE2-CB 4Å; F204-L227 HydrophobicContact CE2-CD2 4.35Å; F204-L227 VanDerWaalsContact CE2-O 3.25Å; F204-L227 WeakPolarHBondContact CE2-O 3.37Å; F204-L227 HydrophobicContact CZ-CB 4.34Å; F204-L227 HydrophobicContact CZ-CD2 4.22Å; F204-L227 WeakPolarHBondContact CZ-O 3.36Å; F204-R418 VanDerWaalsContact C-NH1 3.28Å; F204-R418 PolarHBondContact O-NH1 2.91Å; F204-V423 HydrophobicContact CB-CB 4.41Å; F204-V423 HydrophobicContact CB-CG1 3.85Å; F204-V423 HydrophobicContact CD1-CB 4.14Å; F204-V423 HydrophobicContact CD1-CG1 4.45Å; F204-V423 HydrophobicContact CD1-CG2 4.4Å; F204-V423 HydrophobicContact CD2-CG1 4.38Å; F204-V423 HydrophobicContact CE1-CG2 4.46Å; F204-V423 HydrophobicContact CG-CB 4.17Å; F204-V423 HydrophobicContact CG-CG1 3.99Å; F204-V423 HydrophobicContact CG-CG2 4.48Å; F204-E426 WeakPolarHBondContact CB-OE2 3.37Å; F204-E426 HydrophobicContact CD1-CB 4.05Å; F204-E426 VanDerWaalsContact CD1-OE2 3.31Å; F204-E426 WeakPolarHBondContact CD1-OE2 3.41Å; F204-E426 PolarHBondContact N-OE2 3.3Å; F204-L427 HydrophobicContact CE1-CD2 3.62Å; F204-L427 HydrophobicContact CZ-CD2 3.82Å
205	Q	96	Very high	94.4	Very high	6 Å²	6	38.8 Å²	38.8	3%	0.028	21%	0.205	C	C	.	.	H	α-helix	trans	-68.2	-32.9	177.9	-62	174.6	-28.5	0	0	112.2	L201 F202 L203 H207 A208 L209 L227 E232	L201-Q205 HydrophobicContact CB-CB 4.04Å; L201-Q205 HydrophobicContact CD2-CB 4.02Å; F202-Q205 HydrophobicContact CB-CG 4.13Å; F202-Q205 CarbonylContact O-C 3.58Å; F202-Q205 WeakPolarHBondContact O-CA 3.17Å; F202-Q205 WeakPolarHBondContact O-CB 3.34Å; F202-Q205 PolarHBondContact O-N 3.27Å; L203-Q205 VanDerWaalsContact C-N 3.27Å; L203-Q205 PolarHBondContact O-N 3.47Å; Q205-H207 VanDerWaalsContact C-N 3.32Å; Q205-H207 PolarHBondContact O-N 3.11Å; Q205-A208 WeakPolarHBondContact O-CA 3.13Å; Q205-A208 VanDerWaalsContact O-CB 3.3Å; Q205-A208 WeakPolarHBondContact O-CB 3.27Å; Q205-A208 PolarHBondContact O-N 3.08Å; Q205-A208 VanDerWaalsContact O-N 3.09Å; Q205-L209 PolarHBondContact O-N 2.95Å; Q205-L227 PolarHBondContact NE2-O 3.2Å; Q205-E232 WeakPolarHBondContact CA-OE1 3.41Å; Q205-E232 HydrophobicContact CB-CG 3.85Å; Q205-E232 HydrophobicContact CG-CG 3.9Å
206	K	95.9	Very high	94.7	Very high	53 Å²	53	38.1 Å²	38.1	23%	0.23	19%	0.194	C	C	.	.	H	α-helix	trans	-62.8	-38.7	169.2	-63.1	179.2	178.3	-171.7	0	111.5	Y198 L201 F202 L203 F204 A208 L209 R210	Y198-K206 HydrophobicContact CE1-CD 4.47Å; Y198-K206 HydrophobicContact CE2-CD 3.93Å; Y198-K206 HydrophobicContact CE2-CG 3.95Å; L201-K206 HydrophobicContact CB-CG 3.81Å; L201-K206 HydrophobicContact CD1-CG 4.29Å; L201-K206 WeakPolarHBondContact O-CE 3.45Å; F202-K206 PolarHBondContact O-N 3.08Å; L203-K206 WeakPolarHBondContact O-CB 3.28Å; L203-K206 PolarHBondContact O-N 2.88Å; L203-K206 VanDerWaalsContact O-N 3.14Å; F204-K206 VanDerWaalsContact C-N 3.33Å; F204-K206 PolarHBondContact O-N 2.93Å; K206-A208 VanDerWaalsContact C-N 3.29Å; K206-A208 PolarHBondContact O-N 3.26Å; K206-L209 PolarHBondContact O-N 2.72Å; K206-R210 PolarHBondContact O-N 3.3Å
207	H	95	Very high	94.9	Very high	97 Å²	97	35.9 Å²	35.9	45%	0.449	18%	0.18	S	C	.	.	H	α-helix	trans	-63.1	-34.5	170.5	-62.5	152.5	0	0	0	112.7	L203 F204 Q205 R210 F211	L203-H207 PolarHBondContact O-N 3.29Å; F204-H207 CarbonylContact O-C 3.47Å; F204-H207 WeakPolarHBondContact O-CA 3.38Å; F204-H207 VanDerWaalsContact O-CB 3.3Å; F204-H207 WeakPolarHBondContact O-CB 3.26Å; F204-H207 PolarHBondContact O-N 3.4Å; F204-H207 VanDerWaalsContact O-N 3.09Å; Q205-H207 VanDerWaalsContact C-N 3.32Å; Q205-H207 PolarHBondContact O-N 3.11Å; H207-R210 PolarHBondContact O-N 2.75Å; H207-F211 WeakPolarHBondContact O-CB 3.37Å; H207-F211 PolarHBondContact O-N 3.37Å
208	A	96.8	Very high	95.1	Very high	0 Å²	0	38 Å²	38	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-65.1	-46.6	174.1	0	0	0	0	0	111.7	F204 Q205 K206 R210 F211 I212 E232 L416	F204-A208 PolarHBondContact O-N 3.2Å; Q205-A208 WeakPolarHBondContact O-CA 3.13Å; Q205-A208 VanDerWaalsContact O-CB 3.3Å; Q205-A208 WeakPolarHBondContact O-CB 3.27Å; Q205-A208 PolarHBondContact O-N 3.08Å; Q205-A208 VanDerWaalsContact O-N 3.09Å; K206-A208 VanDerWaalsContact C-N 3.29Å; K206-A208 PolarHBondContact O-N 3.26Å; A208-R210 VanDerWaalsContact C-N 3.31Å; A208-R210 PolarHBondContact O-N 2.94Å; A208-F211 WeakPolarHBondContact O-CB 3.4Å; A208-F211 PolarHBondContact O-N 3.03Å; A208-F211 VanDerWaalsContact O-N 3.14Å; A208-I212 WeakPolarHBondContact O-CD1 3.39Å; A208-I212 WeakPolarHBondContact O-CG1 3.36Å; A208-I212 PolarHBondContact O-N 3.29Å; A208-E232 HydrophobicContact CB-CB 4.35Å; A208-E232 VanDerWaalsContact CB-CD 3.41Å; A208-E232 HydrophobicContact CB-CG 3.92Å; A208-E232 WeakPolarHBondContact CB-OE1 3.27Å; A208-L416 HydrophobicContact CB-CD2 3.47Å; A208-L416 VanDerWaalsContact CB-CD2 3.47Å
209	L	97.3	Very high	95.2	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-55.9	-48.1	174.7	179.1	62.2	0	0	0	111.2	L190 I193 L201 Q205 K206 F211 I212 I213 A235 A236	L190-L209 HydrophobicContact CD2-CB 4.49Å; L190-L209 HydrophobicContact CD2-CD2 3.94Å; L190-L209 HydrophobicContact CD2-CG 3.86Å; I193-L209 HydrophobicContact CD1-CD2 3.69Å; L201-L209 HydrophobicContact CD1-CD2 4.28Å; Q205-L209 PolarHBondContact O-N 2.95Å; K206-L209 PolarHBondContact O-N 2.72Å; L209-F211 VanDerWaalsContact C-N 3.32Å; L209-F211 PolarHBondContact O-N 3.17Å; L209-I212 PolarHBondContact O-N 3.01Å; L209-I213 HydrophobicContact CD1-CD1 3.94Å; L209-I213 HydrophobicContact CD1-CG1 4.33Å; L209-I213 HydrophobicContact CG-CD1 3.91Å; L209-I213 WeakPolarHBondContact O-CG1 3.36Å; L209-I213 PolarHBondContact O-N 3.32Å; L209-A235 HydrophobicContact CD1-CB 4.23Å; L209-A235 HydrophobicContact CD2-CB 4.4Å; L209-A236 HydrophobicContact CD1-CB 3.98Å
210	R	96.6	Very high	95.4	Very high	65 Å²	65	33.7 Å²	33.7	25%	0.245	15%	0.153	C	C	.	.	H	α-helix	trans	-55.7	-47.3	174.8	-163.6	-175	-130.8	105.9	4	112.1	V185 D187 L190 K206 H207 A208 I212 I213 S214	V185-R210 HydrophobicContact CB-CG 3.79Å; V185-R210 HydrophobicContact CG1-CG 4.1Å; V185-R210 HydrophobicContact CG2-CG 4.47Å; V185-R210 VanDerWaalsContact O-CZ 3.22Å; V185-R210 PolarHBondContact O-NE 3.29Å; V185-R210 PolarHBondContact O-NH2 3.4Å; D187-R210 IonicContact OD1-CZ 3.06Å; D187-R210 IonicContact OD1-NH1 2.69Å; D187-R210 PolarHBondContact OD1-NH1 3.4Å; D187-R210 IonicContact OD1-NH2 3.57Å; D187-R210 PolarHBondContact OD1-NH2 3.33Å; D187-R210 IonicContact OD2-NH2 3.2Å; L190-R210 HydrophobicContact CD1-CB 4Å; L190-R210 HydrophobicContact CD1-CG 4.2Å; L190-R210 HydrophobicContact CD2-CB 4.27Å; K206-R210 PolarHBondContact O-N 3.3Å; H207-R210 PolarHBondContact O-N 2.75Å; A208-R210 VanDerWaalsContact C-N 3.31Å; A208-R210 PolarHBondContact O-N 2.94Å; R210-I212 PolarHBondContact O-N 3.15Å; R210-I213 PolarHBondContact O-N 2.78Å; R210-S214 VanDerWaalsContact O-CB 3.32Å; R210-S214 WeakPolarHBondContact O-CB 3.27Å; R210-S214 PolarHBondContact O-N 3.09Å
211	F	96.1	Very high	95.7	Very high	33 Å²	33	30.9 Å²	30.9	15%	0.145	14%	0.142	C	C	.	.	H	α-helix	trans	-58.8	-48.7	177.3	-179.2	-91.8	0	0	0	110.7	H207 A208 L209 I213 S214 R215 V219 L416	H207-F211 WeakPolarHBondContact O-CB 3.37Å; H207-F211 PolarHBondContact O-N 3.37Å; A208-F211 WeakPolarHBondContact O-CB 3.4Å; A208-F211 PolarHBondContact O-N 3.03Å; A208-F211 VanDerWaalsContact O-N 3.14Å; L209-F211 VanDerWaalsContact C-N 3.32Å; L209-F211 PolarHBondContact O-N 3.17Å; F211-I213 VanDerWaalsContact C-N 3.35Å; F211-I213 PolarHBondContact O-N 3.05Å; F211-S214 PolarHBondContact O-N 2.92Å; F211-S214 PolarHBondContact O-OG 3.39Å; F211-R215 HydrophobicContact CD1-CG 4.28Å; F211-R215 HydrophobicContact CE1-CG 3.95Å; F211-R215 HydrophobicContact CE2-CG 4.34Å; F211-R215 HydrophobicContact CZ-CG 3.99Å; F211-R215 WeakPolarHBondContact O-CG 3.34Å; F211-R215 PolarHBondContact O-N 2.95Å; F211-R215 VanDerWaalsContact O-N 3.07Å; F211-V219 HydrophobicContact CD1-CG1 3.99Å; F211-V219 HydrophobicContact CD1-CG2 4Å; F211-V219 HydrophobicContact CE1-CB 4.44Å; F211-V219 HydrophobicContact CE1-CG1 3.73Å; F211-V219 HydrophobicContact CE1-CG2 3.79Å; F211-L416 HydrophobicContact CB-CD2 4.43Å; F211-L416 HydrophobicContact CD1-CB 3.93Å; F211-L416 HydrophobicContact CD1-CD2 4.5Å; F211-L416 HydrophobicContact CE1-CB 3.96Å; F211-L416 HydrophobicContact CG-CB 4.47Å
212	I	97.3	Very high	95.7	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-57.5	-47.2	179.7	-63.5	159.4	0	0	0	111.3	A208 L209 R210 R215 N216 G217 V219 L221 A236 L345	A208-I212 WeakPolarHBondContact O-CD1 3.39Å; A208-I212 WeakPolarHBondContact O-CG1 3.36Å; A208-I212 PolarHBondContact O-N 3.29Å; L209-I212 PolarHBondContact O-N 3.01Å; R210-I212 PolarHBondContact O-N 3.15Å; I212-R215 CarbonylContact O-C 3.59Å; I212-R215 PolarHBondContact O-N 3.2Å; I212-N216 PolarHBondContact O-N 2.94Å; I212-G217 PolarHBondContact O-N 3.22Å; I212-V219 HydrophobicContact CG1-CB 4.35Å; I212-V219 HydrophobicContact CG1-CG1 4.32Å; I212-V219 HydrophobicContact CG1-CG2 4.36Å; I212-L221 HydrophobicContact CD1-CD1 3.79Å; I212-L221 HydrophobicContact CD1-CD2 4.01Å; I212-L221 HydrophobicContact CD1-CG 4.37Å; I212-L221 HydrophobicContact CG1-CD2 4.04Å; I212-A236 HydrophobicContact CB-CB 4.32Å; I212-A236 HydrophobicContact CD1-CB 3.81Å; I212-A236 HydrophobicContact CG2-CB 3.71Å; I212-L345 HydrophobicContact CG2-CD2 3.6Å
213	I	96.7	Very high	95.7	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	12%	0.123	C	C	.	.	H	α-helix	trans	-65	-43.1	179	-63.4	165.5	0	0	0	110.6	V185 L190 L209 R210 F211 R215 N216 Y239	V185-I213 HydrophobicContact CG1-CB 4.39Å; V185-I213 HydrophobicContact CG1-CD1 4.41Å; V185-I213 HydrophobicContact CG1-CG2 4.09Å; V185-I213 HydrophobicContact CG2-CB 3.98Å; V185-I213 HydrophobicContact CG2-CG2 3.59Å; L190-I213 HydrophobicContact CD2-CD1 3.63Å; L209-I213 HydrophobicContact CD1-CD1 3.94Å; L209-I213 HydrophobicContact CD1-CG1 4.33Å; L209-I213 HydrophobicContact CG-CD1 3.91Å; L209-I213 WeakPolarHBondContact O-CG1 3.36Å; L209-I213 PolarHBondContact O-N 3.32Å; R210-I213 PolarHBondContact O-N 2.78Å; F211-I213 VanDerWaalsContact C-N 3.35Å; F211-I213 PolarHBondContact O-N 3.05Å; I213-R215 PolarHBondContact O-N 3.39Å; I213-R215 VanDerWaalsContact O-N 3.13Å; I213-N216 PolarHBondContact O-N 3.34Å; I213-Y239 HydrophobicContact CD1-CD1 4.05Å; I213-Y239 HydrophobicContact CD1-CD2 3.63Å; I213-Y239 HydrophobicContact CD1-CE1 4.08Å; I213-Y239 HydrophobicContact CD1-CE2 3.66Å; I213-Y239 HydrophobicContact CD1-CG 3.83Å; I213-Y239 HydrophobicContact CG1-CD1 3.84Å; I213-Y239 HydrophobicContact CG1-CD2 4.34Å; I213-Y239 HydrophobicContact CG1-CE1 3.8Å; I213-Y239 HydrophobicContact CG1-CE2 4.29Å; I213-Y239 HydrophobicContact CG1-CG 4.12Å; I213-Y239 HydrophobicContact CG2-CE1 4Å; I213-Y239 HydrophobicContact CG2-CE2 4.5Å
214	S	95.2	Very high	95.4	Very high	17 Å²	17	24.9 Å²	24.9	12%	0.119	11%	0.112	C	C	.	.	H	α-helix	trans	-61	-23.8	177.9	81.2	0	0	0	0	113.3	R183 R210 F211	R183-S214 PolarHBondContact N-O 2.83Å; R183-S214 VanDerWaalsContact O-CB 3.27Å; R183-S214 WeakPolarHBondContact O-CB 3.29Å; R210-S214 VanDerWaalsContact O-CB 3.32Å; R210-S214 WeakPolarHBondContact O-CB 3.27Å; R210-S214 PolarHBondContact O-N 3.09Å; F211-S214 PolarHBondContact O-N 2.92Å; F211-S214 PolarHBondContact O-OG 3.39Å
215	R	93.8	Very high	94.8	Very high	59 Å²	59	26.8 Å²	26.8	22%	0.223	12%	0.122	C	C	.	.	T	Hydrogen-bonded Turn	trans	-102.1	16.3	176.3	-54.9	-46.7	174.4	156.3	4.9	113.3	F211 I212 I213 G217 R218 V219 E412 T413	F211-R215 HydrophobicContact CD1-CG 4.28Å; F211-R215 HydrophobicContact CE1-CG 3.95Å; F211-R215 HydrophobicContact CE2-CG 4.34Å; F211-R215 HydrophobicContact CZ-CG 3.99Å; F211-R215 WeakPolarHBondContact O-CG 3.34Å; F211-R215 PolarHBondContact O-N 2.95Å; F211-R215 VanDerWaalsContact O-N 3.07Å; I212-R215 CarbonylContact O-C 3.59Å; I212-R215 PolarHBondContact O-N 3.2Å; I213-R215 PolarHBondContact O-N 3.39Å; I213-R215 VanDerWaalsContact O-N 3.13Å; R215-G217 PolarHBondContact O-N 2.61Å; R215-R218 PolarHBondContact O-N 2.69Å; R215-V219 HydrophobicContact CB-CG2 3.67Å; R215-V219 HydrophobicContact CG-CG2 4.08Å; R215-E412 PolarHBondContact NH1-O 2.87Å; R215-E412 PolarHBondContact NH2-O 2.91Å; R215-T413 VanDerWaalsContact CD-O 3.29Å; R215-T413 WeakPolarHBondContact CD-O 3.43Å
216	N	94.8	Very high	94.2	Very high	84 Å²	84	27.4 Å²	27.4	45%	0.449	13%	0.129	S	C	.	.	T	Hydrogen-bonded Turn	trans	57.4	35.1	178	-61.7	-50.7	0	0	0	113.5	I212 I213 R218 R343	I212-N216 PolarHBondContact O-N 2.94Å; I213-N216 PolarHBondContact O-N 3.34Å; N216-R218 VanDerWaalsContact C-N 3.28Å; N216-R218 PolarHBondContact O-N 3.41Å; N216-R343 VanDerWaalsContact O-CD 3.23Å; N216-R343 WeakPolarHBondContact O-CD 3.16Å; N216-R343 PolarHBondContact O-NH1 3.47Å
217	G	96.5	Very high	93.8	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	12%	0.118	C	C	.	.	T	Hydrogen-bonded Turn	trans	67.4	21.6	175.3	0	0	0	0	0	115.1	I212 R215 Y240 R343 A344 L345	I212-G217 PolarHBondContact O-N 3.22Å; R215-G217 PolarHBondContact O-N 2.61Å; G217-Y240 PolarHBondContact N-OH 2.94Å; G217-R343 CarbonylContact O-C 3.56Å; G217-R343 WeakPolarHBondContact O-CA 3.5Å; G217-A344 CarbonylContact O-C 3.52Å; G217-A344 PolarHBondContact O-N 3.07Å; G217-L345 WeakPolarHBondContact O-CD2 3.3Å
218	R	97	Very high	93.6	Very high	44 Å²	44	21.4 Å²	21.4	17%	0.166	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	93.4	171.5	-60.6	-165	76.9	88.7	-3.2	109.7	R215 N216 L338 A341 R342 A344 C365 V366	R215-R218 PolarHBondContact O-N 2.69Å; N216-R218 VanDerWaalsContact C-N 3.28Å; N216-R218 PolarHBondContact O-N 3.41Å; R218-L338 PolarHBondContact NH2-O 3.45Å; R218-A341 PolarHBondContact NH1-O 3.39Å; R218-R342 PolarHBondContact NH1-O 3.14Å; R218-A344 CarbonylContact C-O 3.52Å; R218-A344 WeakPolarHBondContact CA-O 3.22Å; R218-A344 HydrophobicContact CG-CB 4.47Å; R218-C365 PolarHBondContact NH2-O 2.91Å; R218-V366 HydrophobicContact CB-CG1 4.09Å; R218-V366 PolarHBondContact NE-O 2.96Å; R218-V366 VanDerWaalsContact O-CG1 3.3Å; R218-V366 WeakPolarHBondContact O-CG1 3.3Å
219	V	97.3	Very high	93.5	Very high	0 Å²	0	22.3 Å²	22.3	0%	0	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.9	145.4	-170	170.1	0	0	0	0	111.9	F211 I212 R215 L221 A344 L345 L346 I414	F211-V219 HydrophobicContact CD1-CG1 3.99Å; F211-V219 HydrophobicContact CD1-CG2 4Å; F211-V219 HydrophobicContact CE1-CB 4.44Å; F211-V219 HydrophobicContact CE1-CG1 3.73Å; F211-V219 HydrophobicContact CE1-CG2 3.79Å; I212-V219 HydrophobicContact CG1-CB 4.35Å; I212-V219 HydrophobicContact CG1-CG1 4.32Å; I212-V219 HydrophobicContact CG1-CG2 4.36Å; R215-V219 HydrophobicContact CB-CG2 3.67Å; R215-V219 HydrophobicContact CG-CG2 4.08Å; V219-L221 HydrophobicContact CG1-CD2 3.66Å; V219-L221 HydrophobicContact CG1-CG 3.98Å; V219-A344 PolarHBondContact N-O 3.14Å; V219-L345 HydrophobicContact CB-CD2 4.46Å; V219-L346 PolarHBondContact O-N 3.04Å; V219-I414 CarbonylContact C-O 3.51Å; V219-I414 WeakPolarHBondContact CA-O 3.47Å; V219-I414 WeakPolarHBondContact CG1-O 2.94Å
220	L	96.8	Very high	93.4	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	103	162.5	178.3	63.1	0	0	0	108.7	A222 L346 P351 I414 M415 L416	L220-A222 HydrophobicContact CG-CB 4.27Å; L220-A222 PolarHBondContact O-N 3.29Å; L220-L346 CarbonylContact C-O 3.51Å; L220-L346 WeakPolarHBondContact CA-O 3.34Å; L220-L346 HydrophobicContact CD1-CB 3.71Å; L220-P351 HydrophobicContact CD1-CB 4.5Å; L220-P351 HydrophobicContact CD2-CB 4.15Å; L220-I414 PolarHBondContact N-O 2.77Å; L220-M415 HydrophobicContact CB-CB 4.41Å; L220-M415 HydrophobicContact CB-CG 4.4Å; L220-M415 HydrophobicContact CD2-CG 4.08Å; L220-M415 HydrophobicContact CD2-SD 4.13Å; L220-M415 HydrophobicContact CG-CG 4.25Å; L220-M415 WeakPolarHBondContact O-CA 3.44Å; L220-L416 PolarHBondContact O-N 3.11Å
221	L	97.1	Very high	93.3	Very high	0 Å²	0	21.3 Å²	21.3	0%	0	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	97.5	172	-65	178.5	0	0	0	108.6	I212 V219 K229 E232 A233 L346 L347 S348 L416	I212-L221 HydrophobicContact CD1-CD1 3.79Å; I212-L221 HydrophobicContact CD1-CD2 4.01Å; I212-L221 HydrophobicContact CD1-CG 4.37Å; I212-L221 HydrophobicContact CG1-CD2 4.04Å; V219-L221 HydrophobicContact CG1-CD2 3.66Å; V219-L221 HydrophobicContact CG1-CG 3.98Å; L221-K229 WeakPolarHBondContact O-CD 3.47Å; L221-E232 HydrophobicContact CD1-CB 4.24Å; L221-A233 HydrophobicContact CD1-CB 4.42Å; L221-L346 PolarHBondContact N-O 3.37Å; L221-L347 HydrophobicContact CB-CD2 3.77Å; L221-L347 HydrophobicContact CD1-CD2 3.59Å; L221-L347 HydrophobicContact CG-CD2 4.07Å; L221-L347 WeakPolarHBondContact O-CA 3.31Å; L221-S348 PolarHBondContact O-N 3.46Å; L221-L416 HydrophobicContact CD2-CB 4.1Å; L221-L416 HydrophobicContact CD2-CD2 4.1Å
222	A	94	Very high	93.4	Very high	0 Å²	0	19.7 Å²	19.7	0%	0	11%	0.106	C	C	.	.			trans	-106	13.2	-173.6	0	0	0	0	0	113.7	L220 S348 P351 M415 L416 R417	L220-A222 HydrophobicContact CG-CB 4.27Å; L220-A222 PolarHBondContact O-N 3.29Å; A222-S348 CarbonylContact C-O 3.43Å; A222-S348 WeakPolarHBondContact CA-O 3.43Å; A222-P351 HydrophobicContact CB-CB 4.32Å; A222-P351 HydrophobicContact CB-CG 3.73Å; A222-M415 HydrophobicContact CB-CG 3.83Å; A222-M415 HydrophobicContact CB-SD 4.11Å; A222-L416 CarbonylContact C-O 3.58Å; A222-L416 WeakPolarHBondContact CA-O 3.36Å; A222-L416 WeakPolarHBondContact CB-O 2.82Å; A222-L416 PolarHBondContact N-O 3.42Å; A222-R417 HydrophobicContact CB-CB 3.9Å; A222-R417 HydrophobicContact CB-CG 4.27Å; A222-R417 WeakPolarHBondContact O-CG 3.03Å
223	D	92.9	Very high	93.4	Very high	0 Å²	0	19.7 Å²	19.7	0%	0	11%	0.106	C	C	.	.	P	Polyproline II helix	trans	-53	147.1	175.4	-89.5	18.1	0	0	0	112.5	L227 K229 G349 L416 R417 R418	D223-L227 HydrophobicContact CB-CB 4.25Å; D223-L227 HydrophobicContact CB-CD1 3.96Å; D223-K229 HydrophobicContact CB-CD 4.26Å; D223-K229 HydrophobicContact CB-CG 3.95Å; D223-K229 WeakPolarHBondContact O-CD 3.5Å; D223-K229 WeakPolarHBondContact O-CE 3.03Å; D223-K229 PolarHBondContact O-NZ 3.23Å; D223-G349 WeakPolarHBondContact O-CA 3.42Å; D223-L416 PolarHBondContact N-O 2.75Å; D223-R417 VanDerWaalsContact OD1-CA 3.29Å; D223-R417 WeakPolarHBondContact OD1-CA 3.42Å; D223-R418 PolarHBondContact OD1-N 3.49Å; D223-R418 IonicContact OD1-NE 3.57Å; D223-R418 PolarHBondContact OD1-NE 3.25Å; D223-R418 IonicContact OD2-CZ 3.54Å; D223-R418 IonicContact OD2-NE 3.96Å; D223-R418 PolarHBondContact OD2-NE 3.2Å; D223-R418 IonicContact OD2-NH2 2.93Å; D223-R418 PolarHBondContact OD2-NH2 3.4Å
224	E	87.5	Confident	93.4	Very high	62 Å²	62	19.9 Å²	19.9	29%	0.29	11%	0.107	S	C	.	.	P	Polyproline II helix	trans	-52.8	154.6	177.8	-160.3	-178.6	151.4	0	0	112	L227 K229 R418 S419 K420	E224-L227 HydrophobicContact CB-CD1 3.93Å; E224-L227 HydrophobicContact CB-CG 4.24Å; E224-L227 WeakPolarHBondContact O-CB 3.31Å; E224-L227 PolarHBondContact O-N 3.41Å; E224-K229 PolarHBondContact O-NZ 2.77Å; E224-R418 PolarHBondContact N-O 2.97Å; E224-S419 WeakPolarHBondContact OE2-CA 3.27Å; E224-K420 HydrophobicContact CG-CG 4.43Å; E224-K420 PolarHBondContact OE2-N 3.33Å
225	M	81.6	Confident	93.5	Very high	43 Å²	43	19 Å²	19	21%	0.212	10%	0.101	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.9	143.8	174.4	-68.2	-170.6	66.1	0	0	112.1	L227 K420 K493 L565	M225-L227 VanDerWaalsContact C-N 3.28Å; M225-L227 PolarHBondContact O-N 3.36Å; M225-K420 WeakPolarHBondContact O-CE 3.46Å; M225-K493 HydrophobicContact CE-CD 3.66Å; M225-K493 VanDerWaalsContact CE-CE 3.48Å; M225-K493 HydrophobicContact SD-CD 3.45Å; M225-K493 WeakPolarHBondContact SD-CD 3.28Å; M225-K493 WeakPolarHBondContact SD-CE 3.35Å; M225-K493 HydrophobicContact SD-CG 4.04Å; M225-K493 PolarHBondContact SD-NZ 3.02Å; M225-L565 HydrophobicContact CE-CD2 4.46Å
226	G	83.1	Confident	93.7	Very high	18 Å²	18	16.2 Å²	16.2	19%	0.186	9%	0.09	C	C	.	.	T	Hydrogen-bonded Turn	trans	85.2	-10.8	-177.2	0	0	0	0	0	114.8	G228 I431	G226-G228 PolarHBondContact O-N 3.06Å; G226-I431 WeakPolarHBondContact O-CD1 3.43Å
227	L	87.6	Confident	93.8	Very high	1 Å²	1	12.3 Å²	12.3	1%	0.005	7%	0.069	C	C	.	.	S	Bend	trans	-76	1.8	176.5	-64.6	-173.4	0	0	0	114.6	F204 Q205 D223 E224 M225 R418 K420 V423 L427	F204-L227 HydrophobicContact CE2-CB 4Å; F204-L227 HydrophobicContact CE2-CD2 4.35Å; F204-L227 VanDerWaalsContact CE2-O 3.25Å; F204-L227 WeakPolarHBondContact CE2-O 3.37Å; F204-L227 HydrophobicContact CZ-CB 4.34Å; F204-L227 HydrophobicContact CZ-CD2 4.22Å; F204-L227 WeakPolarHBondContact CZ-O 3.36Å; Q205-L227 PolarHBondContact NE2-O 3.2Å; D223-L227 HydrophobicContact CB-CB 4.25Å; D223-L227 HydrophobicContact CB-CD1 3.96Å; E224-L227 HydrophobicContact CB-CD1 3.93Å; E224-L227 HydrophobicContact CB-CG 4.24Å; E224-L227 WeakPolarHBondContact O-CB 3.31Å; E224-L227 PolarHBondContact O-N 3.41Å; M225-L227 VanDerWaalsContact C-N 3.28Å; M225-L227 PolarHBondContact O-N 3.36Å; L227-R418 HydrophobicContact CD1-CB 4.3Å; L227-R418 WeakPolarHBondContact CD1-O 3.43Å; L227-K420 HydrophobicContact CD2-CG 4Å; L227-K420 HydrophobicContact CG-CG 4.47Å; L227-V423 HydrophobicContact CD1-CG2 4.29Å; L227-V423 HydrophobicContact CD2-CG2 3.54Å; L227-L427 HydrophobicContact CD2-CD1 3.63Å; L227-L427 HydrophobicContact CD2-CD2 4.1Å; L227-L427 HydrophobicContact CD2-CG 4.4Å
228	G	90.5	Very high	93.8	Very high	24 Å²	24	13 Å²	13	25%	0.247	7%	0.074	C	C	.	.			trans	79.4	33	175.3	0	0	0	0	0	115.7	G226 T230 I231 E232	G226-G228 PolarHBondContact O-N 3.06Å; G228-T230 PolarHBondContact O-N 3.17Å; G228-I231 WeakPolarHBondContact O-CG2 3.19Å; G228-I231 PolarHBondContact O-N 3.23Å; G228-E232 PolarHBondContact O-N 3.29Å; G228-E232 VanDerWaalsContact O-N 3.12Å
229	K	94.4	Very high	93.7	Very high	19 Å²	19	13.2 Å²	13.2	8%	0.083	8%	0.075	C	C	.	.	H	α-helix	trans	-47.6	-35.5	172.8	-70.2	-175.9	-69.1	-68.8	0	114.2	L221 D223 E224 A233	L221-K229 WeakPolarHBondContact O-CD 3.47Å; D223-K229 HydrophobicContact CB-CD 4.26Å; D223-K229 HydrophobicContact CB-CG 3.95Å; D223-K229 WeakPolarHBondContact O-CD 3.5Å; D223-K229 WeakPolarHBondContact O-CE 3.03Å; D223-K229 PolarHBondContact O-NZ 3.23Å; E224-K229 PolarHBondContact O-NZ 2.77Å; K229-A233 VanDerWaalsContact O-CB 3.29Å; K229-A233 WeakPolarHBondContact O-CB 3.48Å; K229-A233 PolarHBondContact O-N 3.49Å
230	T	94.8	Very high	93.6	Very high	24 Å²	24	13.8 Å²	13.8	15%	0.147	8%	0.077	C	C	.	.	H	α-helix	trans	-60	-51.6	177.3	-54.4	0	0	0	0	111.3	G228 A233 L234 W258 E261	G228-T230 PolarHBondContact O-N 3.17Å; T230-A233 PolarHBondContact O-N 3.29Å; T230-L234 HydrophobicContact CG2-CD1 4.36Å; T230-L234 WeakPolarHBondContact O-CG 3.48Å; T230-L234 PolarHBondContact O-N 3.17Å; T230-W258 HydrophobicContact CG2-CD2 4.2Å; T230-W258 HydrophobicContact CG2-CE3 4.07Å; T230-W258 HydrophobicContact CG2-CH2 3.75Å; T230-W258 HydrophobicContact CG2-CZ2 3.85Å; T230-W258 HydrophobicContact CG2-CZ3 3.86Å; T230-E261 HydrophobicContact CG2-CB 4.46Å; T230-E261 HydrophobicContact CG2-CG 4.39Å
231	I	95.3	Very high	93.5	Very high	19 Å²	19	17 Å²	17	10%	0.097	9%	0.091	C	C	.	.	H	α-helix	trans	-70.2	-33.9	-178.9	-163	172	0	0	0	111.6	I197 R200 L201 G228 L234 A235	I197-I231 HydrophobicContact CD1-CG1 4.36Å; I197-I231 HydrophobicContact CG1-CD1 4.49Å; I197-I231 HydrophobicContact CG1-CG1 4.1Å; R200-I231 HydrophobicContact CB-CD1 3.9Å; L201-I231 HydrophobicContact CD2-CB 4.36Å; L201-I231 HydrophobicContact CD2-CD1 4.12Å; L201-I231 HydrophobicContact CD2-CG1 3.8Å; L201-I231 HydrophobicContact CD2-CG2 3.91Å; G228-I231 WeakPolarHBondContact O-CG2 3.19Å; G228-I231 PolarHBondContact O-N 3.23Å; I231-L234 PolarHBondContact O-N 3.36Å; I231-A235 WeakPolarHBondContact O-CB 3.48Å; I231-A235 PolarHBondContact O-N 2.93Å
232	E	96.7	Very high	93.4	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-60.4	-45.3	172	-66.1	177.3	152.6	0	0	111.8	Q205 A208 L221 G228 A235 A236 R418	Q205-E232 WeakPolarHBondContact CA-OE1 3.41Å; Q205-E232 HydrophobicContact CB-CG 3.85Å; Q205-E232 HydrophobicContact CG-CG 3.9Å; A208-E232 HydrophobicContact CB-CB 4.35Å; A208-E232 VanDerWaalsContact CB-CD 3.41Å; A208-E232 HydrophobicContact CB-CG 3.92Å; A208-E232 WeakPolarHBondContact CB-OE1 3.27Å; L221-E232 HydrophobicContact CD1-CB 4.24Å; G228-E232 PolarHBondContact O-N 3.29Å; G228-E232 VanDerWaalsContact O-N 3.12Å; E232-A235 PolarHBondContact O-N 3.36Å; E232-A236 PolarHBondContact O-N 2.81Å; E232-A236 VanDerWaalsContact O-N 3.07Å; E232-R418 IonicContact OE1-CZ 3.91Å; E232-R418 IonicContact OE1-NH2 4Å; E232-R418 PolarHBondContact OE1-NH2 3.34Å
233	A	97.9	Very high	93.5	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	14%	0.136	C	C	.	.	H	α-helix	trans	-67.8	-38.9	178.1	0	0	0	0	0	112.1	L221 K229 T230 A236 A237 W258 I316 L345 L347	L221-A233 HydrophobicContact CD1-CB 4.42Å; K229-A233 VanDerWaalsContact O-CB 3.29Å; K229-A233 WeakPolarHBondContact O-CB 3.48Å; K229-A233 PolarHBondContact O-N 3.49Å; T230-A233 PolarHBondContact O-N 3.29Å; A233-A236 PolarHBondContact O-N 3.49Å; A233-A237 WeakPolarHBondContact O-CB 3.12Å; A233-A237 PolarHBondContact O-N 3.15Å; A233-W258 HydrophobicContact CB-CH2 4.32Å; A233-I316 HydrophobicContact CB-CD1 4.09Å; A233-I316 HydrophobicContact CB-CG2 4.41Å; A233-L345 HydrophobicContact CB-CD1 4.42Å; A233-L347 HydrophobicContact CB-CD1 3.74Å; A233-L347 HydrophobicContact CB-CD2 3.78Å; A233-L347 HydrophobicContact CB-CG 4.38Å
234	L	97.1	Very high	93.7	Very high	3 Å²	3	25.7 Å²	25.7	2%	0.016	14%	0.143	C	C	.	.	H	α-helix	trans	-64.8	-45.3	174.5	-73.8	179.1	0	0	0	111.8	I197 T230 I231 A236 A237 V238 W258 E261 I262	I197-L234 HydrophobicContact CD1-CB 3.75Å; T230-L234 HydrophobicContact CG2-CD1 4.36Å; T230-L234 WeakPolarHBondContact O-CG 3.48Å; T230-L234 PolarHBondContact O-N 3.17Å; I231-L234 PolarHBondContact O-N 3.36Å; L234-A236 VanDerWaalsContact C-N 3.3Å; L234-A236 PolarHBondContact O-N 2.99Å; L234-A237 PolarHBondContact O-N 3.27Å; L234-V238 WeakPolarHBondContact O-CG2 3.31Å; L234-V238 PolarHBondContact O-N 3.39Å; L234-W258 HydrophobicContact CD1-CZ3 4.37Å; L234-W258 HydrophobicContact CD2-CE3 4.07Å; L234-W258 HydrophobicContact CD2-CZ3 3.6Å; L234-W258 HydrophobicContact CG-CE3 4.4Å; L234-W258 HydrophobicContact CG-CZ3 3.75Å; L234-E261 HydrophobicContact CD1-CB 4.09Å; L234-I262 HydrophobicContact CD1-CG1 4.17Å; L234-I262 HydrophobicContact CD2-CD1 4.27Å; L234-I262 HydrophobicContact CD2-CG1 3.56Å
235	A	97.4	Very high	94.1	Very high	0 Å²	0	24.1 Å²	24.1	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-58.7	-43.7	176.6	0	0	0	0	0	111.4	I193 I197 L201 L209 I231 E232 A237 V238 Y239	I193-A235 HydrophobicContact CD1-CB 4.23Å; I197-A235 HydrophobicContact CD1-CB 4.07Å; I197-A235 HydrophobicContact CG1-CB 4.2Å; L201-A235 HydrophobicContact CD1-CB 3.89Å; L201-A235 HydrophobicContact CD2-CB 4.32Å; L209-A235 HydrophobicContact CD1-CB 4.23Å; L209-A235 HydrophobicContact CD2-CB 4.4Å; I231-A235 WeakPolarHBondContact O-CB 3.48Å; I231-A235 PolarHBondContact O-N 2.93Å; E232-A235 PolarHBondContact O-N 3.36Å; A235-A237 VanDerWaalsContact C-N 3.35Å; A235-A237 PolarHBondContact O-N 3.37Å; A235-V238 PolarHBondContact O-N 2.97Å; A235-Y239 PolarHBondContact O-N 3.27Å
236	A	97.3	Very high	94.8	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	13%	0.129	C	C	.	.	H	α-helix	trans	-64.7	-38	174.2	0	0	0	0	0	112.6	L209 I212 E232 A233 L234 Y239 Y240 L345	L209-A236 HydrophobicContact CD1-CB 3.98Å; I212-A236 HydrophobicContact CB-CB 4.32Å; I212-A236 HydrophobicContact CD1-CB 3.81Å; I212-A236 HydrophobicContact CG2-CB 3.71Å; E232-A236 PolarHBondContact O-N 2.81Å; E232-A236 VanDerWaalsContact O-N 3.07Å; A233-A236 PolarHBondContact O-N 3.49Å; L234-A236 VanDerWaalsContact C-N 3.3Å; L234-A236 PolarHBondContact O-N 2.99Å; A236-Y239 PolarHBondContact O-N 2.94Å; A236-Y240 WeakPolarHBondContact O-CD2 3.5Å; A236-Y240 PolarHBondContact O-N 3.07Å; A236-Y240 VanDerWaalsContact O-N 3.17Å; A236-L345 HydrophobicContact CB-CD1 3.86Å
237	A	97.2	Very high	95.6	Very high	1 Å²	1	21.3 Å²	21.3	1%	0.008	12%	0.12	C	C	.	.	H	α-helix	trans	-68.1	-37.4	177.3	0	0	0	0	0	113	A233 L234 A235 Y240 K241 W244 L246 I314 I316	A233-A237 WeakPolarHBondContact O-CB 3.12Å; A233-A237 PolarHBondContact O-N 3.15Å; L234-A237 PolarHBondContact O-N 3.27Å; A235-A237 VanDerWaalsContact C-N 3.35Å; A235-A237 PolarHBondContact O-N 3.37Å; A237-Y240 CarbonylContact O-C 3.59Å; A237-Y240 VanDerWaalsContact O-C 3.31Å; A237-Y240 PolarHBondContact O-N 3.03Å; A237-K241 PolarHBondContact O-N 2.91Å; A237-W244 PolarHBondContact O-NE1 3.21Å; A237-L246 HydrophobicContact CB-CD1 4.17Å; A237-L246 HydrophobicContact CB-CD2 3.97Å; A237-I314 HydrophobicContact CB-CD1 3.79Å; A237-I316 HydrophobicContact CB-CD1 4.09Å
238	V	95.9	Very high	96.1	Very high	15 Å²	15	21.3 Å²	21.3	9%	0.091	12%	0.12	C	C	.	.	H	α-helix	trans	-66.7	-40.7	173.4	172.2	0	0	0	0	110.9	D194 I197 L234 A235 Y240 K241 V266	D194-V238 HydrophobicContact CB-CG1 4.13Å; I197-V238 HydrophobicContact CD1-CG2 4.49Å; L234-V238 WeakPolarHBondContact O-CG2 3.31Å; L234-V238 PolarHBondContact O-N 3.39Å; A235-V238 PolarHBondContact O-N 2.97Å; V238-Y240 PolarHBondContact O-N 3.42Å; V238-K241 WeakPolarHBondContact O-CB 3.24Å; V238-K241 PolarHBondContact O-N 3.35Å; V238-V266 HydrophobicContact CG2-CB 4.46Å; V238-V266 HydrophobicContact CG2-CG1 3.86Å; V238-V266 HydrophobicContact CG2-CG2 3.66Å
239	Y	95.6	Very high	96.5	Very high	49 Å²	49	20.2 Å²	20.2	19%	0.192	11%	0.108	C	C	.	.	H	α-helix	trans	-56.2	-39.5	172.5	174.1	-89.2	0	0	0	111.7	E189 I193 I213 A235 A236 K241	E189-Y239 HydrophobicContact CG-CE2 3.9Å; E189-Y239 PolarHBondContact OE1-OH 2.92Å; I193-Y239 HydrophobicContact CG2-CD2 3.75Å; I193-Y239 HydrophobicContact CG2-CG 4.26Å; I213-Y239 HydrophobicContact CD1-CD1 4.05Å; I213-Y239 HydrophobicContact CD1-CD2 3.63Å; I213-Y239 HydrophobicContact CD1-CE1 4.08Å; I213-Y239 HydrophobicContact CD1-CE2 3.66Å; I213-Y239 HydrophobicContact CD1-CG 3.83Å; I213-Y239 HydrophobicContact CG1-CD1 3.84Å; I213-Y239 HydrophobicContact CG1-CD2 4.34Å; I213-Y239 HydrophobicContact CG1-CE1 3.8Å; I213-Y239 HydrophobicContact CG1-CE2 4.29Å; I213-Y239 HydrophobicContact CG1-CG 4.12Å; I213-Y239 HydrophobicContact CG2-CE1 4Å; I213-Y239 HydrophobicContact CG2-CE2 4.5Å; A235-Y239 PolarHBondContact O-N 3.27Å; A236-Y239 PolarHBondContact O-N 2.94Å; Y239-K241 VanDerWaalsContact C-N 3.35Å; Y239-K241 PolarHBondContact O-N 2.87Å
240	Y	96	Very high	96.5	Very high	12 Å²	12	19.3 Å²	19.3	5%	0.047	10%	0.104	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.1	25.9	175.4	-64.9	-64.8	0	0	0	113.9	G217 A236 A237 V238 S242 E243 I314 R343	G217-Y240 PolarHBondContact N-OH 2.94Å; A236-Y240 WeakPolarHBondContact O-CD2 3.5Å; A236-Y240 PolarHBondContact O-N 3.07Å; A236-Y240 VanDerWaalsContact O-N 3.17Å; A237-Y240 CarbonylContact O-C 3.59Å; A237-Y240 VanDerWaalsContact O-C 3.31Å; A237-Y240 PolarHBondContact O-N 3.03Å; V238-Y240 PolarHBondContact O-N 3.42Å; Y240-S242 PolarHBondContact O-N 2.8Å; Y240-S242 VanDerWaalsContact O-N 3.12Å; Y240-E243 PolarHBondContact O-N 3.27Å; Y240-I314 HydrophobicContact CD2-CD1 4.48Å; Y240-R343 HydrophobicContact CD2-CG 4.11Å; Y240-R343 HydrophobicContact CE2-CG 4.5Å; Y240-R343 HydrophobicContact CG-CG 4.14Å
241	K	94.7	Very high	96.4	Very high	66 Å²	66	19 Å²	19	29%	0.287	10%	0.103	S	C	.	.	G	3₁₀ helix	trans	-56	-30.7	-177.6	-171.9	173.8	-176.5	179.4	0	113.7	A237 V238 Y239 E243 W244 S268	A237-K241 PolarHBondContact O-N 2.91Å; V238-K241 WeakPolarHBondContact O-CB 3.24Å; V238-K241 PolarHBondContact O-N 3.35Å; Y239-K241 VanDerWaalsContact C-N 3.35Å; Y239-K241 PolarHBondContact O-N 2.87Å; K241-E243 PolarHBondContact O-N 3.47Å; K241-W244 HydrophobicContact CG-CD2 4.08Å; K241-W244 HydrophobicContact CG-CE3 4.23Å; K241-W244 HydrophobicContact CG-CZ2 4.4Å; K241-W244 WeakPolarHBondContact O-CB 3.49Å; K241-W244 PolarHBondContact O-N 3.21Å; K241-S268 PolarHBondContact NZ-O 3.25Å
242	S	94.9	Very high	96.3	Very high	117 Å²	117	19.4 Å²	19.4	82%	0.818	11%	0.107	S	C	*	.	G	3₁₀ helix	trans	-65.1	-15	175.4	59.1	0	0	0	0	114.6	Y240	Y240-S242 PolarHBondContact O-N 2.8Å; Y240-S242 VanDerWaalsContact O-N 3.12Å
243	E	96.2	Very high	95.9	Very high	27 Å²	27	19.6 Å²	19.6	13%	0.126	11%	0.108	C	C	.	.	G	3₁₀ helix	trans	-99.7	3.7	179.2	-55.8	-175.6	179.7	0	0	112.8	Y240 K241 K313 R342 R343	Y240-E243 PolarHBondContact O-N 3.27Å; K241-E243 PolarHBondContact O-N 3.47Å; E243-K313 HydrophobicContact CB-CB 4.22Å; E243-K313 VanDerWaalsContact O-CB 3.25Å; E243-K313 WeakPolarHBondContact O-CB 3.5Å; E243-K313 WeakPolarHBondContact O-CG 3.43Å; E243-R342 VanDerWaalsContact CD-NE 3.28Å; E243-R342 IonicContact OE1-CZ 2.81Å; E243-R342 IonicContact OE1-NE 3.12Å; E243-R342 PolarHBondContact OE1-NE 3.45Å; E243-R342 IonicContact OE1-NH2 3.11Å; E243-R342 PolarHBondContact OE1-NH2 3.15Å; E243-R342 VanDerWaalsContact OE2-CD 3.27Å; E243-R342 WeakPolarHBondContact OE2-CD 3.07Å; E243-R342 IonicContact OE2-NE 3.17Å; E243-R342 PolarHBondContact OE2-NE 3.26Å; E243-R343 IonicContact OE1-CZ 3.91Å; E243-R343 IonicContact OE1-NE 3.96Å; E243-R343 PolarHBondContact OE1-NE 3.44Å; E243-R343 IonicContact OE1-NH2 2.63Å; E243-R343 PolarHBondContact OE1-NH2 3.19Å; E243-R343 VanDerWaalsContact OE2-CG 3.29Å; E243-R343 WeakPolarHBondContact OE2-CG 3.19Å; E243-R343 IonicContact OE2-CZ 3.44Å; E243-R343 IonicContact OE2-NE 2.76Å; E243-R343 PolarHBondContact OE2-NE 3.04Å; E243-R343 IonicContact OE2-NH2 4Å
244	W	95.5	Very high	95.6	Very high	39 Å²	39	20.7 Å²	20.7	15%	0.148	12%	0.115	C	C	.	.	P	Polyproline II helix	trans	-62.6	152.3	-179.1	-75.7	22.2	0	0	0	111.8	A237 K241 L246 L269 Q291 V292	A237-W244 PolarHBondContact O-NE1 3.21Å; K241-W244 HydrophobicContact CG-CD2 4.08Å; K241-W244 HydrophobicContact CG-CE3 4.23Å; K241-W244 HydrophobicContact CG-CZ2 4.4Å; K241-W244 WeakPolarHBondContact O-CB 3.49Å; K241-W244 PolarHBondContact O-N 3.21Å; W244-L246 HydrophobicContact CD2-CB 4.05Å; W244-L246 HydrophobicContact CG-CB 4.26Å; W244-L246 HydrophobicContact CH2-CD2 4.44Å; W244-L246 HydrophobicContact CZ2-CB 4.43Å; W244-L246 HydrophobicContact CZ2-CD2 3.97Å; W244-L269 HydrophobicContact CH2-CD1 4.49Å; W244-L269 HydrophobicContact CH2-CD2 4.17Å; W244-L269 HydrophobicContact CZ3-CD1 3.76Å; W244-L269 HydrophobicContact CZ3-CD2 4.02Å; W244-Q291 HydrophobicContact CE3-CB 3.91Å; W244-Q291 HydrophobicContact CZ3-CB 4.18Å; W244-V292 HydrophobicContact CE3-CG2 4.09Å; W244-V292 HydrophobicContact CH2-CG2 3.73Å; W244-V292 HydrophobicContact CZ3-CG2 3.43Å; W244-V292 VanDerWaalsContact CZ3-CG2 3.43Å
245	P	96	Very high	95.4	Very high	30 Å²	30	20.6 Å²	20.6	20%	0.195	12%	0.115	C	C	.	.	P	Polyproline II helix	cis	-79	150.5	28.8	30.8	-37.2	0	0	0	115.6	Q291 F293 F312	P245-Q291 WeakPolarHBondContact CA-O 3.48Å; P245-F293 HydrophobicContact CB-CD2 4.43Å; P245-F293 HydrophobicContact CB-CE2 4.19Å; P245-F312 HydrophobicContact CB-CD1 3.96Å; P245-F312 HydrophobicContact CB-CE1 3.9Å; P245-F312 HydrophobicContact CG-CD1 3.87Å; P245-F312 HydrophobicContact CG-CE1 4.07Å
246	L	97.6	Very high	95.1	Very high	2 Å²	2	21.1 Å²	21.1	1%	0.01	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	130.2	175.5	170.6	64.5	0	0	0	111.3	A237 W244 I248 Q291 V292 F293 I314 I316	A237-L246 HydrophobicContact CB-CD1 4.17Å; A237-L246 HydrophobicContact CB-CD2 3.97Å; W244-L246 HydrophobicContact CD2-CB 4.05Å; W244-L246 HydrophobicContact CG-CB 4.26Å; W244-L246 HydrophobicContact CH2-CD2 4.44Å; W244-L246 HydrophobicContact CZ2-CB 4.43Å; W244-L246 HydrophobicContact CZ2-CD2 3.97Å; L246-I248 HydrophobicContact CD1-CG1 4.33Å; L246-I248 HydrophobicContact CD2-CD1 3.98Å; L246-I248 HydrophobicContact CD2-CG1 4.25Å; L246-I248 HydrophobicContact CG-CD1 4.35Å; L246-I248 HydrophobicContact CG-CG1 4.13Å; L246-Q291 PolarHBondContact N-O 3.4Å; L246-V292 HydrophobicContact CB-CG1 4.4Å; L246-V292 HydrophobicContact CB-CG2 4.29Å; L246-V292 HydrophobicContact CD2-CG1 3.98Å; L246-V292 HydrophobicContact CD2-CG2 4.19Å; L246-V292 HydrophobicContact CG-CG1 4.17Å; L246-V292 WeakPolarHBondContact O-CA 3.22Å; L246-F293 PolarHBondContact O-N 2.85Å; L246-I314 HydrophobicContact CB-CG2 4.01Å; L246-I314 HydrophobicContact CD1-CB 4.35Å; L246-I314 HydrophobicContact CD1-CD1 4.35Å; L246-I314 HydrophobicContact CD1-CG1 3.84Å; L246-I314 HydrophobicContact CD1-CG2 3.79Å; L246-I316 HydrophobicContact CD1-CD1 4Å; L246-I316 HydrophobicContact CD1-CG1 4.06Å
247	L	98.3	Very high	94.9	Very high	0 Å²	0	21.4 Å²	21.4	0%	0	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	126.5	169.9	174	62.8	0	0	0	110.6	V249 F293 L295 L307 F312 I314 I315 I316 L337	L247-V249 HydrophobicContact CD1-CG2 4.26Å; L247-V249 HydrophobicContact CD2-CG2 4.18Å; L247-V249 HydrophobicContact CG-CG2 4.02Å; L247-F293 CarbonylContact C-O 3.6Å; L247-F293 HydrophobicContact CD1-CB 4.21Å; L247-L295 HydrophobicContact CD1-CD2 3.46Å; L247-L295 VanDerWaalsContact CD1-CD2 3.46Å; L247-L295 HydrophobicContact CD1-CG 3.81Å; L247-L307 HydrophobicContact CD1-CD2 4.4Å; L247-L307 HydrophobicContact CD2-CD2 4.44Å; L247-F312 HydrophobicContact CB-CB 4.04Å; L247-F312 HydrophobicContact CB-CD1 3.48Å; L247-F312 VanDerWaalsContact CB-CD1 3.48Å; L247-F312 HydrophobicContact CB-CD2 4.05Å; L247-F312 HydrophobicContact CB-CE1 3.83Å; L247-F312 HydrophobicContact CB-CE2 4.38Å; L247-F312 HydrophobicContact CB-CG 3.57Å; L247-F312 HydrophobicContact CB-CZ 4.27Å; L247-F312 HydrophobicContact CD1-CZ 4.45Å; L247-F312 HydrophobicContact CD2-CD2 3.87Å; L247-F312 HydrophobicContact CD2-CE2 4.22Å; L247-F312 HydrophobicContact CD2-CG 4.17Å; L247-F312 HydrophobicContact CG-CD2 4.47Å; L247-F312 HydrophobicContact CG-CG 4.45Å; L247-I314 PolarHBondContact N-O 2.63Å; L247-I315 HydrophobicContact CB-CG1 4.28Å; L247-I315 HydrophobicContact CD2-CD1 4.24Å; L247-I315 HydrophobicContact CD2-CG1 4.31Å; L247-I315 HydrophobicContact CD2-CG2 4.26Å; L247-I315 HydrophobicContact CG-CG2 4.36Å; L247-I315 CarbonylContact O-C 3.49Å; L247-I315 VanDerWaalsContact O-CA 3.31Å; L247-I315 WeakPolarHBondContact O-CA 3.37Å; L247-I316 PolarHBondContact O-N 2.76Å; L247-L337 HydrophobicContact CD2-CD1 4.43Å
248	I	98.6	Very high	94.8	Very high	0 Å²	0	21.6 Å²	21.6	0%	0	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	120.1	171.7	-63.3	160.7	0	0	0	108.1	L246 C250 W258 I262 V292 F293 I294 L295 I316	L246-I248 HydrophobicContact CD1-CG1 4.33Å; L246-I248 HydrophobicContact CD2-CD1 3.98Å; L246-I248 HydrophobicContact CD2-CG1 4.25Å; L246-I248 HydrophobicContact CG-CD1 4.35Å; L246-I248 HydrophobicContact CG-CG1 4.13Å; I248-C250 HydrophobicContact CG2-CB 4.43Å; I248-W258 HydrophobicContact CD1-CD2 4.45Å; I248-W258 HydrophobicContact CD1-CE3 3.69Å; I248-W258 HydrophobicContact CD1-CZ3 4.01Å; I248-W258 HydrophobicContact CG1-CE3 4.42Å; I248-W258 HydrophobicContact CG1-CZ3 4.49Å; I248-W258 HydrophobicContact CG2-CD2 3.82Å; I248-W258 HydrophobicContact CG2-CE3 4.07Å; I248-W258 HydrophobicContact CG2-CG 4.12Å; I248-W258 HydrophobicContact CG2-CZ2 4.48Å; I248-W258 HydrophobicContact CG2-CZ3 4.47Å; I248-I262 HydrophobicContact CD1-CD1 3.69Å; I248-V292 HydrophobicContact CD1-CG1 3.97Å; I248-F293 PolarHBondContact N-O 2.9Å; I248-I294 HydrophobicContact CB-CG1 4.28Å; I248-I294 HydrophobicContact CB-CG2 4.46Å; I248-I294 HydrophobicContact CD1-CG1 4.17Å; I248-I294 HydrophobicContact CG2-CG2 4.33Å; I248-I294 WeakPolarHBondContact O-CA 3.47Å; I248-L295 PolarHBondContact O-N 3.49Å; I248-I316 WeakPolarHBondContact CA-O 3.1Å; I248-I316 HydrophobicContact CG1-CB 4.1Å; I248-I316 HydrophobicContact CG1-CD1 4.13Å
249	V	98.4	Very high	94.7	Very high	1 Å²	1	21.7 Å²	21.7	1%	0.006	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	119.1	172.5	-174.9	0	0	0	0	108.5	L247 L295 Y297 M300 I316 M317 D318	L247-V249 HydrophobicContact CD1-CG2 4.26Å; L247-V249 HydrophobicContact CD2-CG2 4.18Å; L247-V249 HydrophobicContact CG-CG2 4.02Å; V249-L295 WeakPolarHBondContact CA-O 3.1Å; V249-L295 HydrophobicContact CG1-CD1 4.37Å; V249-L295 HydrophobicContact CG2-CD1 4Å; V249-Y297 HydrophobicContact CG1-CD1 3.87Å; V249-Y297 HydrophobicContact CG1-CD2 4.02Å; V249-Y297 HydrophobicContact CG1-CE1 4Å; V249-Y297 HydrophobicContact CG1-CE2 4.12Å; V249-Y297 HydrophobicContact CG1-CG 3.88Å; V249-M300 HydrophobicContact CG1-CB 4.35Å; V249-M300 HydrophobicContact CG1-SD 4.06Å; V249-M300 HydrophobicContact CG2-SD 4.11Å; V249-I316 PolarHBondContact N-O 2.68Å; V249-M317 HydrophobicContact CB-CE 3.95Å; V249-M317 HydrophobicContact CB-CG 4.4Å; V249-M317 HydrophobicContact CG1-CE 3.84Å; V249-M317 HydrophobicContact CG2-CE 4.34Å; V249-M317 CarbonylContact O-C 3.54Å; V249-M317 WeakPolarHBondContact O-CA 3.47Å; V249-D318 PolarHBondContact O-N 3.18Å
250	C	95.8	Very high	94.6	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.7	170	-175.8	59.6	0	0	0	0	111.5	I248 V254 L295 S296 D318	I248-C250 HydrophobicContact CG2-CB 4.43Å; C250-V254 HydrophobicContact CB-CG2 3.75Å; C250-L295 PolarHBondContact N-O 2.96Å; C250-S296 VanDerWaalsContact O-CA 3.26Å; C250-S296 WeakPolarHBondContact O-CA 3.45Å; C250-D318 HydrophobicContact CB-CB 3.69Å
251	P	93	Very high	94.4	Very high	18 Å²	18	23 Å²	23	12%	0.117	13%	0.131	C	C	.	.			trans	-55.6	147.6	168.6	-24.9	33.7	0	0	0	112.1	S253 V254 E319 D487	P251-S253 PolarHBondContact O-N 2.8Å; P251-V254 HydrophobicContact CB-CG2 4.1Å; P251-V254 HydrophobicContact CG-CG2 4.23Å; P251-V254 VanDerWaalsContact O-CG2 3.26Å; P251-V254 WeakPolarHBondContact O-CG2 3.49Å; P251-V254 PolarHBondContact O-N 3.22Å; P251-V254 VanDerWaalsContact O-N 3.14Å; P251-E319 HydrophobicContact CG-CB 3.89Å; P251-E319 HydrophobicContact CG-CG 4.08Å; P251-D487 WeakPolarHBondContact CB-OD2 3.34Å
252	S	91.6	Very high	94.4	Very high	28 Å²	28	20 Å²	20	20%	0.196	12%	0.119	C	C	.	.	G	3₁₀ helix	trans	-55.8	-38.8	-175.4	-65.9	0	0	0	0	112.7	V254 K255 S296 E483	S252-V254 VanDerWaalsContact C-N 3.27Å; S252-V254 PolarHBondContact O-N 3.16Å; S252-K255 WeakPolarHBondContact O-CE 3.41Å; S252-K255 PolarHBondContact O-N 2.9Å; S252-S296 WeakPolarHBondContact OG-CB 3.34Å; S252-E483 WeakPolarHBondContact CB-OE1 3.19Å
253	S	88.2	Confident	94.3	Very high	3 Å²	3	16.3 Å²	16.3	2%	0.021	10%	0.095	C	C	.	.	G	3₁₀ helix	trans	-67.6	-21	-176.9	64.2	0	0	0	0	114.4	P251 D487	P251-S253 PolarHBondContact O-N 2.8Å; S253-D487 VanDerWaalsContact CB-OD2 3.3Å; S253-D487 WeakPolarHBondContact CB-OD2 3.34Å; S253-D487 PolarHBondContact OG-OD2 3.18Å
254	V	91.5	Very high	94	Very high	24 Å²	24	18.4 Å²	18.4	15%	0.145	11%	0.105	C	C	.	.	G	3₁₀ helix	trans	-106.5	0.8	-176.1	-60.1	0	0	0	0	114.1	C250 P251 S252 C256 T257 W258 Y484	C250-V254 HydrophobicContact CB-CG2 3.75Å; P251-V254 HydrophobicContact CB-CG2 4.1Å; P251-V254 HydrophobicContact CG-CG2 4.23Å; P251-V254 VanDerWaalsContact O-CG2 3.26Å; P251-V254 WeakPolarHBondContact O-CG2 3.49Å; P251-V254 PolarHBondContact O-N 3.22Å; P251-V254 VanDerWaalsContact O-N 3.14Å; S252-V254 VanDerWaalsContact C-N 3.27Å; S252-V254 PolarHBondContact O-N 3.16Å; V254-C256 VanDerWaalsContact C-N 3.33Å; V254-C256 PolarHBondContact O-N 3.04Å; V254-T257 WeakPolarHBondContact O-CB 3.29Å; V254-T257 PolarHBondContact O-N 2.76Å; V254-T257 VanDerWaalsContact O-N 3.1Å; V254-W258 PolarHBondContact O-N 2.76Å; V254-Y484 HydrophobicContact CG1-CD2 4.42Å; V254-Y484 HydrophobicContact CG1-CE2 3.96Å
255	K	93.9	Very high	93.9	Very high	1 Å²	1	16.7 Å²	16.7	0%	0.004	10%	0.098	C	C	.	.	H	α-helix	trans	-54.9	-47.3	177.7	-68	-172.6	-64.9	169.6	0	112.4	S252 T257 W258 A259 V276 V277 N278 I294	S252-K255 WeakPolarHBondContact O-CE 3.41Å; S252-K255 PolarHBondContact O-N 2.9Å; K255-T257 VanDerWaalsContact C-N 3.34Å; K255-W258 PolarHBondContact O-N 3.47Å; K255-A259 PolarHBondContact O-N 3.04Å; K255-A259 VanDerWaalsContact O-N 3.14Å; K255-V276 HydrophobicContact CB-CG1 3.93Å; K255-V276 HydrophobicContact CD-CG1 4.32Å; K255-V277 PolarHBondContact NZ-O 2.85Å; K255-N278 PolarHBondContact NZ-OD1 3.06Å; K255-I294 HydrophobicContact CB-CG2 4.01Å; K255-I294 HydrophobicContact CG-CG2 4.15Å
256	C	91.9	Very high	93.7	Very high	11 Å²	11	15.4 Å²	15.4	7%	0.074	9%	0.09	C	C	.	.	H	α-helix	trans	-66.8	-36.8	178.2	-68.9	0	0	0	0	111.7	V254 W258 A259 E260 V436	V254-C256 VanDerWaalsContact C-N 3.33Å; V254-C256 PolarHBondContact O-N 3.04Å; C256-W258 PolarHBondContact O-N 3.47Å; C256-A259 PolarHBondContact O-N 3.46Å; C256-E260 VanDerWaalsContact O-CG 3.3Å; C256-E260 WeakPolarHBondContact O-CG 3.34Å; C256-E260 PolarHBondContact O-N 3.22Å; C256-E260 VanDerWaalsContact O-N 3.11Å; C256-V436 HydrophobicContact CB-CB 4.45Å; C256-V436 HydrophobicContact CB-CG1 4.21Å; C256-V436 WeakPolarHBondContact CB-O 3.35Å
257	T	92.1	Very high	93.3	Very high	6 Å²	6	19 Å²	19	4%	0.037	11%	0.113	C	C	.	.	H	α-helix	trans	-62.5	-43.4	175.6	-61.3	0	0	0	0	111.1	V254 K255 A259 E260 E261 V436	V254-T257 WeakPolarHBondContact O-CB 3.29Å; V254-T257 PolarHBondContact O-N 2.76Å; V254-T257 VanDerWaalsContact O-N 3.1Å; K255-T257 VanDerWaalsContact C-N 3.34Å; T257-A259 VanDerWaalsContact C-N 3.35Å; T257-A259 PolarHBondContact O-N 2.97Å; T257-E260 PolarHBondContact O-N 3.45Å; T257-E261 HydrophobicContact CG2-CG 4.27Å; T257-E261 WeakPolarHBondContact O-CB 3.49Å; T257-E261 WeakPolarHBondContact O-CG 3.32Å; T257-E261 PolarHBondContact O-N 2.85Å; T257-V436 PolarHBondContact OG1-N 2.57Å; T257-V436 PolarHBondContact OG1-O 2.69Å
258	W	95.4	Very high	92.8	Very high	4 Å²	4	22 Å²	22	2%	0.015	14%	0.135	C	C	.	.	H	α-helix	trans	-59.5	-42.3	173.7	-90.1	95.3	0	0	0	113	T230 A233 L234 I248 V254 K255 C256 E260 E261 I262 I294 I316 D318 L347	T230-W258 HydrophobicContact CG2-CD2 4.2Å; T230-W258 HydrophobicContact CG2-CE3 4.07Å; T230-W258 HydrophobicContact CG2-CH2 3.75Å; T230-W258 HydrophobicContact CG2-CZ2 3.85Å; T230-W258 HydrophobicContact CG2-CZ3 3.86Å; A233-W258 HydrophobicContact CB-CH2 4.32Å; L234-W258 HydrophobicContact CD1-CZ3 4.37Å; L234-W258 HydrophobicContact CD2-CE3 4.07Å; L234-W258 HydrophobicContact CD2-CZ3 3.6Å; L234-W258 HydrophobicContact CG-CE3 4.4Å; L234-W258 HydrophobicContact CG-CZ3 3.75Å; I248-W258 HydrophobicContact CD1-CD2 4.45Å; I248-W258 HydrophobicContact CD1-CE3 3.69Å; I248-W258 HydrophobicContact CD1-CZ3 4.01Å; I248-W258 HydrophobicContact CG1-CE3 4.42Å; I248-W258 HydrophobicContact CG1-CZ3 4.49Å; I248-W258 HydrophobicContact CG2-CD2 3.82Å; I248-W258 HydrophobicContact CG2-CE3 4.07Å; I248-W258 HydrophobicContact CG2-CG 4.12Å; I248-W258 HydrophobicContact CG2-CZ2 4.48Å; I248-W258 HydrophobicContact CG2-CZ3 4.47Å; V254-W258 PolarHBondContact O-N 2.76Å; K255-W258 PolarHBondContact O-N 3.47Å; C256-W258 PolarHBondContact O-N 3.47Å; W258-E260 VanDerWaalsContact C-N 3.32Å; W258-E260 PolarHBondContact O-N 2.9Å; W258-E261 PolarHBondContact O-N 3.24Å; W258-I262 WeakPolarHBondContact O-CD1 3.34Å; W258-I262 VanDerWaalsContact O-CG1 3.24Å; W258-I262 WeakPolarHBondContact O-CG1 3.29Å; W258-I262 PolarHBondContact O-N 2.87Å; W258-I294 HydrophobicContact CB-CD1 4.08Å; W258-I294 HydrophobicContact CB-CG2 4.21Å; W258-I316 HydrophobicContact CH2-CD1 4.39Å; W258-I316 HydrophobicContact CH2-CG2 3.92Å; W258-I316 HydrophobicContact CZ2-CG2 4.29Å; W258-I316 HydrophobicContact CZ3-CD1 4.32Å; W258-D318 HydrophobicContact CZ2-CB 3.95Å; W258-D318 PolarHBondContact NE1-OD2 2.87Å; W258-L347 HydrophobicContact CH2-CD1 3.9Å; W258-L347 HydrophobicContact CZ2-CD1 3.78Å
259	A	94.6	Very high	92.6	Very high	17 Å²	17	22.3 Å²	22.3	14%	0.14	14%	0.136	C	C	.	.	H	α-helix	trans	-61.5	-41	178.3	0	0	0	0	0	112.3	K255 C256 T257 I262 A263 I274 V276 I294	K255-A259 PolarHBondContact O-N 3.04Å; K255-A259 VanDerWaalsContact O-N 3.14Å; C256-A259 PolarHBondContact O-N 3.46Å; T257-A259 VanDerWaalsContact C-N 3.35Å; T257-A259 PolarHBondContact O-N 2.97Å; A259-I262 PolarHBondContact O-N 2.73Å; A259-A263 PolarHBondContact O-N 2.94Å; A259-I274 HydrophobicContact CB-CG2 4.26Å; A259-V276 HydrophobicContact CB-CG2 3.78Å; A259-I294 HydrophobicContact CB-CD1 3.88Å
260	E	91.7	Very high	92.3	Very high	54 Å²	54	26.9 Å²	26.9	25%	0.252	16%	0.161	S	C	.	.	H	α-helix	trans	-70.2	-42.2	177.7	-61.3	-72.4	156.5	0	0	111.8	C256 T257 W258 I262 A263 E264 V436 K602	C256-E260 VanDerWaalsContact O-CG 3.3Å; C256-E260 WeakPolarHBondContact O-CG 3.34Å; C256-E260 PolarHBondContact O-N 3.22Å; C256-E260 VanDerWaalsContact O-N 3.11Å; T257-E260 PolarHBondContact O-N 3.45Å; W258-E260 VanDerWaalsContact C-N 3.32Å; W258-E260 PolarHBondContact O-N 2.9Å; E260-I262 PolarHBondContact O-N 2.9Å; E260-A263 PolarHBondContact O-N 3.2Å; E260-E264 VanDerWaalsContact O-CB 3.3Å; E260-E264 WeakPolarHBondContact O-CB 3.41Å; E260-E264 PolarHBondContact O-N 2.65Å; E260-V436 HydrophobicContact CB-CG2 4.47Å; E260-V436 HydrophobicContact CG-CB 4.17Å; E260-V436 HydrophobicContact CG-CG1 4.42Å; E260-V436 HydrophobicContact CG-CG2 3.83Å; E260-K602 WeakPolarHBondContact OE1-CE 3.41Å; E260-K602 IonicContact OE1-NZ 2.6Å; E260-K602 PolarHBondContact OE1-NZ 3.46Å; E260-K602 WeakPolarHBondContact OE2-CE 3.32Å; E260-K602 IonicContact OE2-NZ 2.68Å; E260-K602 PolarHBondContact OE2-NZ 3.15Å
261	E	93	Very high	92.2	Very high	36 Å²	36	30.9 Å²	30.9	17%	0.168	19%	0.187	C	C	.	.	H	α-helix	trans	-59.6	-36.5	176	-69.1	-86	-167.9	0	0	111.5	T230 L234 T257 W258 N265 K433	T230-E261 HydrophobicContact CG2-CB 4.46Å; T230-E261 HydrophobicContact CG2-CG 4.39Å; L234-E261 HydrophobicContact CD1-CB 4.09Å; T257-E261 HydrophobicContact CG2-CG 4.27Å; T257-E261 WeakPolarHBondContact O-CB 3.49Å; T257-E261 WeakPolarHBondContact O-CG 3.32Å; T257-E261 PolarHBondContact O-N 2.85Å; W258-E261 PolarHBondContact O-N 3.24Å; E261-N265 VanDerWaalsContact O-CB 3.28Å; E261-N265 WeakPolarHBondContact O-CB 3.27Å; E261-N265 PolarHBondContact O-N 3.09Å; E261-N265 PolarHBondContact O-ND2 2.68Å; E261-N265 PolarHBondContact OE2-ND2 2.78Å; E261-K433 WeakPolarHBondContact OE1-CE 3.38Å; E261-K433 IonicContact OE1-NZ 2.79Å; E261-K433 PolarHBondContact OE1-NZ 2.89Å
262	I	95.3	Very high	92.2	Very high	3 Å²	3	33.7 Å²	33.7	2%	0.015	21%	0.206	C	C	.	.	H	α-helix	trans	-69	-50.2	174.5	-65.6	162.5	0	0	0	110.7	L234 I248 W258 A259 E260 E264 N265 V266 L269 I274 V292 I294	L234-I262 HydrophobicContact CD1-CG1 4.17Å; L234-I262 HydrophobicContact CD2-CD1 4.27Å; L234-I262 HydrophobicContact CD2-CG1 3.56Å; I248-I262 HydrophobicContact CD1-CD1 3.69Å; W258-I262 WeakPolarHBondContact O-CD1 3.34Å; W258-I262 VanDerWaalsContact O-CG1 3.24Å; W258-I262 WeakPolarHBondContact O-CG1 3.29Å; W258-I262 PolarHBondContact O-N 2.87Å; A259-I262 PolarHBondContact O-N 2.73Å; E260-I262 PolarHBondContact O-N 2.9Å; I262-E264 PolarHBondContact O-N 3.03Å; I262-N265 PolarHBondContact O-N 3.07Å; I262-V266 HydrophobicContact CG2-CB 4.42Å; I262-V266 HydrophobicContact CG2-CG2 4.45Å; I262-V266 WeakPolarHBondContact O-CA 3.09Å; I262-V266 WeakPolarHBondContact O-CB 3.15Å; I262-V266 PolarHBondContact O-N 3.44Å; I262-L269 HydrophobicContact CG2-CD2 3.6Å; I262-I274 HydrophobicContact CB-CD1 4.02Å; I262-I274 HydrophobicContact CG2-CD1 3.59Å; I262-I274 HydrophobicContact CG2-CG1 4.37Å; I262-V292 HydrophobicContact CD1-CG1 3.96Å; I262-I294 HydrophobicContact CD1-CD1 3.93Å
263	A	92.8	Very high	92.3	Very high	39 Å²	39	32.6 Å²	32.6	32%	0.322	20%	0.199	S	C	.	.	H	α-helix	trans	-59.8	-33.2	-179.5	0	0	0	0	0	112.3	A259 E260 P271	A259-A263 PolarHBondContact O-N 2.94Å; E260-A263 PolarHBondContact O-N 3.2Å; A263-P271 HydrophobicContact CB-CG 4.48Å
264	E	89.8	Confident	92.7	Very high	71 Å²	71	33.5 Å²	33.5	33%	0.332	20%	0.203	S	C	.	.	H	α-helix	trans	-80.5	-40.1	-179.6	-161.1	-165.9	127.8	0	0	113.4	R200 E260 I262 T633	R200-E264 IonicContact CZ-OE1 3.81Å; R200-E264 PolarHBondContact NH1-O 2.74Å; R200-E264 IonicContact NH1-OE1 2.67Å; R200-E264 PolarHBondContact NH1-OE1 3.28Å; R200-E264 PolarHBondContact NH2-O 3.17Å; R200-E264 IonicContact NH2-OE1 3.57Å; E260-E264 VanDerWaalsContact O-CB 3.3Å; E260-E264 WeakPolarHBondContact O-CB 3.41Å; E260-E264 PolarHBondContact O-N 2.65Å; I262-E264 PolarHBondContact O-N 3.03Å; E264-T633 HydrophobicContact CG-CG2 3.77Å; E264-T633 VanDerWaalsContact OE1-CB 3.24Å; E264-T633 WeakPolarHBondContact OE1-CB 3.29Å; E264-T633 WeakPolarHBondContact OE1-CG2 3.23Å; E264-T633 PolarHBondContact OE1-OG1 3.1Å
265	N	92	Very high	92.8	Very high	3 Å²	3	32.7 Å²	32.7	2%	0.016	20%	0.198	C	C	.	.	H	α-helix	trans	-95.1	-17.1	-174	-66.3	-75.2	0	0	0	113.6	I197 R200 E261 I262 P267	I197-N265 WeakPolarHBondContact CB-O 3.37Å; I197-N265 HydrophobicContact CD1-CB 4.13Å; I197-N265 HydrophobicContact CG1-CB 4.24Å; R200-N265 WeakPolarHBondContact CD-OD1 3.38Å; R200-N265 PolarHBondContact NH1-OD1 3.26Å; E261-N265 VanDerWaalsContact O-CB 3.28Å; E261-N265 WeakPolarHBondContact O-CB 3.27Å; E261-N265 PolarHBondContact O-N 3.09Å; E261-N265 PolarHBondContact O-ND2 2.68Å; E261-N265 PolarHBondContact OE2-ND2 2.78Å; I262-N265 PolarHBondContact O-N 3.07Å; N265-P267 VanDerWaalsContact C-CD 3.49Å; N265-P267 WeakPolarHBondContact O-CD 3.45Å
266	V	93.2	Very high	92.8	Very high	2 Å²	2	34.3 Å²	34.3	1%	0.012	21%	0.208	C	C	.	.			trans	-124.9	69.5	-176.6	-165.1	0	0	0	0	109.9	I197 V238 I262 S268 L269	I197-V266 HydrophobicContact CD1-CG2 4.26Å; V238-V266 HydrophobicContact CG2-CB 4.46Å; V238-V266 HydrophobicContact CG2-CG1 3.86Å; V238-V266 HydrophobicContact CG2-CG2 3.66Å; I262-V266 HydrophobicContact CG2-CB 4.42Å; I262-V266 HydrophobicContact CG2-CG2 4.45Å; I262-V266 WeakPolarHBondContact O-CA 3.09Å; I262-V266 WeakPolarHBondContact O-CB 3.15Å; I262-V266 PolarHBondContact O-N 3.44Å; V266-S268 PolarHBondContact O-N 3.07Å; V266-S268 VanDerWaalsContact O-N 3.15Å; V266-L269 HydrophobicContact CB-CB 4.42Å; V266-L269 HydrophobicContact CG1-CB 3.96Å; V266-L269 WeakPolarHBondContact O-CB 3.45Å; V266-L269 PolarHBondContact O-N 3.26Å
267	P	87.8	Confident	92.8	Very high	78 Å²	78	33.9 Å²	33.9	51%	0.506	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.4	-18.4	-177.4	29	-36.5	0	0	0	113.1	T196 N265 L269	T196-P267 HydrophobicContact CG2-CG 3.98Å; T196-P267 WeakPolarHBondContact OG1-CG 3.31Å; N265-P267 VanDerWaalsContact C-CD 3.49Å; N265-P267 WeakPolarHBondContact O-CD 3.45Å; P267-L269 PolarHBondContact O-N 3.14Å
268	S	88.9	Confident	92.5	Very high	64 Å²	64	36.2 Å²	36.2	45%	0.448	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72	-1.9	171.9	59.8	0	0	0	0	114.1	D194 K241 V266	D194-S268 WeakPolarHBondContact OD2-CB 3.3Å; D194-S268 PolarHBondContact OD2-OG 2.75Å; K241-S268 PolarHBondContact NZ-O 3.25Å; V266-S268 PolarHBondContact O-N 3.07Å; V266-S268 VanDerWaalsContact O-N 3.15Å
269	L	93	Very high	91.9	Very high	6 Å²	6	38 Å²	38	3%	0.031	23%	0.231	C	C	.	.	S	Bend	trans	-108.7	126.6	173.6	-172.2	69.7	0	0	0	109.6	W244 I262 V266 P267 P271 S273 I274 Q291 V292	W244-L269 HydrophobicContact CH2-CD1 4.49Å; W244-L269 HydrophobicContact CH2-CD2 4.17Å; W244-L269 HydrophobicContact CZ3-CD1 3.76Å; W244-L269 HydrophobicContact CZ3-CD2 4.02Å; I262-L269 HydrophobicContact CG2-CD2 3.6Å; V266-L269 HydrophobicContact CB-CB 4.42Å; V266-L269 HydrophobicContact CG1-CB 3.96Å; V266-L269 WeakPolarHBondContact O-CB 3.45Å; V266-L269 PolarHBondContact O-N 3.26Å; P267-L269 PolarHBondContact O-N 3.14Å; L269-P271 WeakPolarHBondContact O-CD 3.32Å; L269-S273 WeakPolarHBondContact CD1-OG 3.28Å; L269-S273 WeakPolarHBondContact CG-OG 3.4Å; L269-I274 HydrophobicContact CD2-CD1 4.13Å; L269-I274 HydrophobicContact CD2-CG1 3.86Å; L269-Q291 HydrophobicContact CD1-CB 4.27Å; L269-V292 HydrophobicContact CD2-CG2 3.74Å
270	D	93.5	Very high	91	Very high	97 Å²	97	40.4 Å²	40.4	52%	0.519	25%	0.246	S	C	.	.			trans	-66	124.9	172.2	-178.9	-3.9	0	0	0	109.8	S272 S273	D270-S272 PolarHBondContact O-N 3.37Å; D270-S272 PolarHBondContact OD1-N 2.77Å; D270-S272 PolarHBondContact OD1-OG 2.68Å; D270-S272 PolarHBondContact OD2-OG 3.49Å; D270-S273 WeakPolarHBondContact O-CB 3.48Å; D270-S273 PolarHBondContact O-N 3.46Å; D270-S273 PolarHBondContact O-OG 2.97Å
271	P	93.2	Very high	89.8	Confident	84 Å²	84	42.2 Å²	42.2	55%	0.545	27%	0.27	S	S	.	.	G	3₁₀ helix	trans	-52	-26.9	174	-28.5	36.1	0	0	0	114.7	A263 L269 S273 I274	A263-P271 HydrophobicContact CB-CG 4.48Å; L269-P271 WeakPolarHBondContact O-CD 3.32Å; P271-S273 PolarHBondContact O-N 3.28Å; P271-I274 PolarHBondContact O-N 3.12Å
272	S	92.5	Very high	88.6	Confident	76 Å²	76	46 Å²	46	53%	0.531	29%	0.288	S	S	.	.	G	3₁₀ helix	trans	-65.1	-24.8	176.2	79.3	0	0	0	0	113.2	D270 I274 Y290	D270-S272 PolarHBondContact O-N 3.37Å; D270-S272 PolarHBondContact OD1-N 2.77Å; D270-S272 PolarHBondContact OD1-OG 2.68Å; D270-S272 PolarHBondContact OD2-OG 3.49Å; S272-I274 VanDerWaalsContact C-N 3.26Å; S272-I274 PolarHBondContact O-N 3.21Å; S272-Y290 WeakPolarHBondContact O-CE1 3.23Å
273	S	94.6	Very high	87.8	Confident	5 Å²	5	52.2 Å²	52.2	4%	0.035	32%	0.321	C	S	.	.	G	3₁₀ helix	trans	-82	0.8	179.5	73.6	0	0	0	0	114	L269 D270 P271 E289 Y290 Q291 V292	L269-S273 WeakPolarHBondContact CD1-OG 3.28Å; L269-S273 WeakPolarHBondContact CG-OG 3.4Å; D270-S273 WeakPolarHBondContact O-CB 3.48Å; D270-S273 PolarHBondContact O-N 3.46Å; D270-S273 PolarHBondContact O-OG 2.97Å; P271-S273 PolarHBondContact O-N 3.28Å; S273-E289 WeakPolarHBondContact CB-O 3.2Å; S273-Y290 WeakPolarHBondContact O-CA 3.47Å; S273-Q291 PolarHBondContact O-N 3.29Å; S273-V292 PolarHBondContact O-N 3.17Å
274	I	95.2	Very high	87.4	Confident	23 Å²	23	51.1 Å²	51.1	12%	0.118	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	112.9	178.4	-54.4	172.8	0	0	0	109.5	A259 I262 L269 P271 S272 I294	A259-I274 HydrophobicContact CB-CG2 4.26Å; I262-I274 HydrophobicContact CB-CD1 4.02Å; I262-I274 HydrophobicContact CG2-CD1 3.59Å; I262-I274 HydrophobicContact CG2-CG1 4.37Å; L269-I274 HydrophobicContact CD2-CD1 4.13Å; L269-I274 HydrophobicContact CD2-CG1 3.86Å; P271-I274 PolarHBondContact O-N 3.12Å; S272-I274 VanDerWaalsContact C-N 3.26Å; S272-I274 PolarHBondContact O-N 3.21Å; I274-I294 HydrophobicContact CG2-CD1 3.77Å; I274-I294 HydrophobicContact CG2-CG1 4.45Å
275	C	94.4	Very high	87.2	Confident	6 Å²	6	48.2 Å²	48.2	4%	0.041	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	113.7	175.1	-174.9	0	0	0	0	111	Y290 V292 F293 I294	C275-Y290 HydrophobicContact CB-CD1 3.73Å; C275-Y290 HydrophobicContact CB-CD2 3.78Å; C275-Y290 HydrophobicContact CB-CE1 4.04Å; C275-Y290 HydrophobicContact CB-CE2 4.09Å; C275-Y290 HydrophobicContact CB-CG 3.62Å; C275-V292 PolarHBondContact N-O 3.29Å; C275-F293 HydrophobicContact CB-CD1 3.82Å; C275-F293 HydrophobicContact CB-CE1 4.1Å; C275-F293 HydrophobicContact CB-CG 4.45Å; C275-F293 CarbonylContact O-C 3.56Å; C275-F293 WeakPolarHBondContact O-CA 3.24Å; C275-I294 PolarHBondContact O-N 2.7Å
276	V	93.4	Very high	86.9	Confident	35 Å²	35	50.6 Å²	50.6	21%	0.212	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	106.1	167.9	-177.5	0	0	0	0	108.9	K255 A259 N278 I294	K255-V276 HydrophobicContact CB-CG1 3.93Å; K255-V276 HydrophobicContact CD-CG1 4.32Å; A259-V276 HydrophobicContact CB-CG2 3.78Å; V276-N278 PolarHBondContact O-N 2.93Å; V276-N278 PolarHBondContact O-ND2 3Å; V276-I294 HydrophobicContact CG2-CD1 4.28Å
277	V	92.2	Very high	86.7	Confident	2 Å²	2	53 Å²	53	1%	0.012	34%	0.336	C	S	.	.			trans	-75.3	124.7	-175.4	-173.6	0	0	0	0	110.1	K255 V284 I294 L295 M303	K255-V277 PolarHBondContact NZ-O 2.85Å; V277-V284 HydrophobicContact CG1-CG2 4.5Å; V277-V284 HydrophobicContact CG2-CG2 4.14Å; V277-I294 PolarHBondContact N-O 3.36Å; V277-L295 HydrophobicContact CB-CB 3.77Å; V277-L295 HydrophobicContact CG2-CB 4.01Å; V277-L295 HydrophobicContact CG2-CD2 4.29Å; V277-M303 HydrophobicContact CG1-CE 4.3Å; V277-M303 HydrophobicContact CG1-SD 3.82Å
278	N	86.4	Confident	86.6	Confident	56 Å²	56	53.6 Å²	53.6	30%	0.299	35%	0.347	S	S	.	.			trans	-131.5	-22.5	-164.8	-83.8	-13.7	0	0	0	112.9	K255 V276 F299 Q440	K255-N278 PolarHBondContact NZ-OD1 3.06Å; V276-N278 PolarHBondContact O-N 2.93Å; V276-N278 PolarHBondContact O-ND2 3Å; N278-F299 VanDerWaalsContact O-CZ 3.25Å; N278-F299 WeakPolarHBondContact O-CZ 3.35Å; N278-Q440 HydrophobicContact CB-CG 4.14Å; N278-Q440 VanDerWaalsContact CG-CG 3.47Å; N278-Q440 PolarHBondContact O-NE2 3.44Å; N278-Q440 WeakPolarHBondContact OD1-CG 3.33Å; N278-Q440 PolarHBondContact OD1-NE2 3.24Å; N278-Q440 PolarHBondContact OD1-OE1 2.93Å
279	S	83.5	Confident	86.7	Confident	42 Å²	42	57.2 Å²	57.2	29%	0.294	36%	0.357	S	S	.	.			trans	-137.9	143.9	175.1	178.2	0	0	0	0	108.4	A281	S279-A281 VanDerWaalsContact C-N 3.29Å; S279-A281 PolarHBondContact OG-N 3.46Å
280	S	75.4	Confident	86.8	Confident	66 Å²	66	60 Å²	60	46%	0.462	37%	0.368	S	S	.	.	S	Bend	trans	-79.8	-12.9	172.1	55.3	0	0	0	0	112.9
281	A	65.8	Low	86.9	Confident	92 Å²	92	59 Å²	59	76%	0.76	36%	0.36	S	S	*	.	S	Bend	trans	-81	-20.5	-176	0	0	0	0	0	113.4	S279	S279-A281 VanDerWaalsContact C-N 3.29Å; S279-A281 PolarHBondContact OG-N 3.46Å
282	E	67.2	Low	87.1	Confident	115 Å²	115	55 Å²	55	54%	0.537	33%	0.334	S	S	.	.	S	Bend	trans	-85.8	125.2	-179.3	-64.6	172.7	-172.8	0	0	109.7	V284	E282-V284 HydrophobicContact CB-CG1 3.71Å; E282-V284 PolarHBondContact O-N 3.48Å
283	N	79.5	Confident	87.3	Confident	134 Å²	134	51.4 Å²	51.4	72%	0.717	31%	0.309	S	S	*	.			trans	-75.6	54.7	174.8	-169.3	11.7	0	0	0	111.7	L285 G286	N283-L285 VanDerWaalsContact C-N 3.27Å; N283-L285 PolarHBondContact O-N 3Å; N283-G286 PolarHBondContact O-N 2.76Å
284	V	83.7	Confident	87.4	Confident	17 Å²	17	51.1 Å²	51.1	10%	0.103	31%	0.307	C	S	.	.	G	3₁₀ helix	trans	-67.2	-28.7	-177.9	-65	0	0	0	0	112.5	V277 E282 G286 N287 Y290	V277-V284 HydrophobicContact CG1-CG2 4.5Å; V277-V284 HydrophobicContact CG2-CG2 4.14Å; E282-V284 HydrophobicContact CB-CG1 3.71Å; E282-V284 PolarHBondContact O-N 3.48Å; V284-G286 PolarHBondContact O-N 3.23Å; V284-N287 PolarHBondContact O-N 3.42Å; V284-Y290 HydrophobicContact CB-CE2 4.33Å; V284-Y290 WeakPolarHBondContact O-CD2 3.31Å
285	L	86	Confident	87.4	Confident	9 Å²	9	50 Å²	50	5%	0.047	30%	0.301	C	S	.	.	G	3₁₀ helix	trans	-67.4	-22.9	-179.4	-66.6	172.6	0	0	0	112.3	N283 F293 M303 Q306 L307 K310 F312	N283-L285 VanDerWaalsContact C-N 3.27Å; N283-L285 PolarHBondContact O-N 3Å; L285-F293 HydrophobicContact CD2-CD1 3.61Å; L285-F293 HydrophobicContact CD2-CE1 3.73Å; L285-F293 HydrophobicContact CD2-CG 4.27Å; L285-F293 HydrophobicContact CD2-CZ 4.45Å; L285-M303 HydrophobicContact CD1-CE 3.85Å; L285-M303 HydrophobicContact CG-CE 4.32Å; L285-Q306 HydrophobicContact CD1-CB 3.46Å; L285-Q306 VanDerWaalsContact CD1-CB 3.46Å; L285-L307 HydrophobicContact CD1-CD2 3.82Å; L285-L307 HydrophobicContact CD1-CG 4.23Å; L285-L307 HydrophobicContact CD2-CD2 3.87Å; L285-K310 WeakPolarHBondContact O-CD 3.46Å; L285-K310 VanDerWaalsContact O-CE 3.25Å; L285-K310 WeakPolarHBondContact O-CE 3.39Å; L285-K310 PolarHBondContact O-NZ 3.2Å; L285-F312 HydrophobicContact CD2-CE2 4.3Å; L285-F312 HydrophobicContact CD2-CZ 3.97Å
286	G	86.1	Confident	87.5	Confident	54 Å²	54	49.9 Å²	49.9	56%	0.557	30%	0.3	S	S	*	.	G	3₁₀ helix	trans	-75.1	-21.6	175	0	0	0	0	0	114.4	N283 V284 A288	N283-G286 PolarHBondContact O-N 2.76Å; V284-G286 PolarHBondContact O-N 3.23Å; G286-A288 PolarHBondContact O-N 3.48Å
287	N	87.5	Confident	87.6	Confident	51 Å²	51	48.6 Å²	48.6	27%	0.273	29%	0.292	S	S	.	.			trans	-71.3	124.8	-179	-172	-8.7	0	0	0	110.4	V284 E289 Y290	V284-N287 PolarHBondContact O-N 3.42Å; N287-E289 PolarHBondContact ND2-OE2 3.34Å; N287-E289 WeakPolarHBondContact OD1-CB 3.17Å; N287-E289 WeakPolarHBondContact OD1-CG 3.31Å; N287-E289 PolarHBondContact OD1-N 3.3Å; N287-Y290 HydrophobicContact CB-CD2 3.64Å; N287-Y290 HydrophobicContact CB-CE2 3.77Å
288	A	86.5	Confident	87.7	Confident	91 Å²	91	52.7 Å²	52.7	75%	0.752	31%	0.313	S	S	*	.	S	Bend	trans	-80.1	-16.5	-179.4	0	0	0	0	0	113.4	G286 Y290	G286-A288 PolarHBondContact O-N 3.48Å; A288-Y290 VanDerWaalsContact C-N 3.26Å; A288-Y290 PolarHBondContact O-N 3.46Å
289	E	91.6	Very high	88.1	Confident	141 Å²	141	51.7 Å²	51.7	66%	0.659	31%	0.307	S	S	*	.	S	Bend	trans	-69.3	-27.1	176.6	-63.3	175.1	156.9	0	0	112	S273 N287 Q291	S273-E289 WeakPolarHBondContact CB-O 3.2Å; N287-E289 PolarHBondContact ND2-OE2 3.34Å; N287-E289 WeakPolarHBondContact OD1-CB 3.17Å; N287-E289 WeakPolarHBondContact OD1-CG 3.31Å; N287-E289 PolarHBondContact OD1-N 3.3Å; E289-Q291 PolarHBondContact O-N 2.98Å
290	Y	94.4	Very high	88.7	Confident	63 Å²	63	49.8 Å²	49.8	25%	0.247	29%	0.293	C	S	.	.			trans	-78.2	123.8	179.5	-63.4	-46.5	0	0	0	112.1	S272 S273 C275 V284 N287 A288 F293	S272-Y290 WeakPolarHBondContact O-CE1 3.23Å; S273-Y290 WeakPolarHBondContact O-CA 3.47Å; C275-Y290 HydrophobicContact CB-CD1 3.73Å; C275-Y290 HydrophobicContact CB-CD2 3.78Å; C275-Y290 HydrophobicContact CB-CE1 4.04Å; C275-Y290 HydrophobicContact CB-CE2 4.09Å; C275-Y290 HydrophobicContact CB-CG 3.62Å; V284-Y290 HydrophobicContact CB-CE2 4.33Å; V284-Y290 WeakPolarHBondContact O-CD2 3.31Å; N287-Y290 HydrophobicContact CB-CD2 3.64Å; N287-Y290 HydrophobicContact CB-CE2 3.77Å; A288-Y290 VanDerWaalsContact C-N 3.26Å; A288-Y290 PolarHBondContact O-N 3.46Å; Y290-F293 VanDerWaalsContact CB-CZ 3.4Å; Y290-F293 HydrophobicContact CD2-CE1 4.12Å; Y290-F293 HydrophobicContact CD2-CZ 4.37Å; Y290-F293 HydrophobicContact CG-CE1 4.36Å; Y290-F293 HydrophobicContact CG-CZ 4.35Å; Y290-F293 WeakPolarHBondContact O-CE2 3.19Å
291	Q	95.1	Very high	89.6	Confident	77 Å²	77	47.9 Å²	47.9	36%	0.36	28%	0.279	S	S	.	.			trans	-102.7	-30.4	177.9	-72.9	-176.5	66.2	0	0	112	W244 P245 L246 L269 S273 E289	W244-Q291 HydrophobicContact CE3-CB 3.91Å; W244-Q291 HydrophobicContact CZ3-CB 4.18Å; P245-Q291 WeakPolarHBondContact CA-O 3.48Å; L246-Q291 PolarHBondContact N-O 3.4Å; L269-Q291 HydrophobicContact CD1-CB 4.27Å; S273-Q291 PolarHBondContact O-N 3.29Å; E289-Q291 PolarHBondContact O-N 2.98Å
292	V	97.2	Very high	91	Very high	0 Å²	0	48.7 Å²	48.7	0%	0	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	133.5	-179.6	-174.7	0	0	0	0	110.2	W244 L246 I248 I262 L269 S273 C275 I294	W244-V292 HydrophobicContact CE3-CG2 4.09Å; W244-V292 HydrophobicContact CH2-CG2 3.73Å; W244-V292 HydrophobicContact CZ3-CG2 3.43Å; W244-V292 VanDerWaalsContact CZ3-CG2 3.43Å; L246-V292 HydrophobicContact CB-CG1 4.4Å; L246-V292 HydrophobicContact CB-CG2 4.29Å; L246-V292 HydrophobicContact CD2-CG1 3.98Å; L246-V292 HydrophobicContact CD2-CG2 4.19Å; L246-V292 HydrophobicContact CG-CG1 4.17Å; L246-V292 WeakPolarHBondContact O-CA 3.22Å; I248-V292 HydrophobicContact CD1-CG1 3.97Å; I262-V292 HydrophobicContact CD1-CG1 3.96Å; L269-V292 HydrophobicContact CD2-CG2 3.74Å; S273-V292 PolarHBondContact O-N 3.17Å; C275-V292 PolarHBondContact N-O 3.29Å; V292-I294 HydrophobicContact CG1-CG1 4.17Å
293	F	97.1	Very high	92.3	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	125.9	177.9	-64.6	-97.6	0	0	0	109.5	P245 L246 L247 I248 C275 L285 Y290 F312	P245-F293 HydrophobicContact CB-CD2 4.43Å; P245-F293 HydrophobicContact CB-CE2 4.19Å; L246-F293 PolarHBondContact O-N 2.85Å; L247-F293 CarbonylContact C-O 3.6Å; L247-F293 HydrophobicContact CD1-CB 4.21Å; I248-F293 PolarHBondContact N-O 2.9Å; C275-F293 HydrophobicContact CB-CD1 3.82Å; C275-F293 HydrophobicContact CB-CE1 4.1Å; C275-F293 HydrophobicContact CB-CG 4.45Å; C275-F293 CarbonylContact O-C 3.56Å; C275-F293 WeakPolarHBondContact O-CA 3.24Å; L285-F293 HydrophobicContact CD2-CD1 3.61Å; L285-F293 HydrophobicContact CD2-CE1 3.73Å; L285-F293 HydrophobicContact CD2-CG 4.27Å; L285-F293 HydrophobicContact CD2-CZ 4.45Å; Y290-F293 VanDerWaalsContact CB-CZ 3.4Å; Y290-F293 HydrophobicContact CD2-CE1 4.12Å; Y290-F293 HydrophobicContact CD2-CZ 4.37Å; Y290-F293 HydrophobicContact CG-CE1 4.36Å; Y290-F293 HydrophobicContact CG-CZ 4.35Å; Y290-F293 WeakPolarHBondContact O-CE2 3.19Å; F293-F312 HydrophobicContact CB-CE1 4.14Å; F293-F312 HydrophobicContact CB-CZ 4.1Å; F293-F312 AromaticContact CD2-CE1 3.45Å; F293-F312 HydrophobicContact CD2-CE1 3.45Å; F293-F312 VanDerWaalsContact CD2-CE1 3.45Å; F293-F312 AromaticContact CD2-CZ 3.76Å; F293-F312 HydrophobicContact CD2-CZ 3.76Å; F293-F312 HydrophobicContact CE2-CE1 4.06Å; F293-F312 HydrophobicContact CE2-CZ 4.29Å; F293-F312 AromaticContact CG-CE1 3.96Å; F293-F312 HydrophobicContact CG-CE1 3.96Å; F293-F312 AromaticContact CG-CZ 3.88Å; F293-F312 HydrophobicContact CG-CZ 3.88Å
294	I	97.2	Very high	92.9	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	119.8	-178.8	-51.6	172.8	0	0	0	108.3	I248 K255 W258 A259 I262 I274 C275 V276 V277 V292	I248-I294 HydrophobicContact CB-CG1 4.28Å; I248-I294 HydrophobicContact CB-CG2 4.46Å; I248-I294 HydrophobicContact CD1-CG1 4.17Å; I248-I294 HydrophobicContact CG2-CG2 4.33Å; I248-I294 WeakPolarHBondContact O-CA 3.47Å; K255-I294 HydrophobicContact CB-CG2 4.01Å; K255-I294 HydrophobicContact CG-CG2 4.15Å; W258-I294 HydrophobicContact CB-CD1 4.08Å; W258-I294 HydrophobicContact CB-CG2 4.21Å; A259-I294 HydrophobicContact CB-CD1 3.88Å; I262-I294 HydrophobicContact CD1-CD1 3.93Å; I274-I294 HydrophobicContact CG2-CD1 3.77Å; I274-I294 HydrophobicContact CG2-CG1 4.45Å; C275-I294 PolarHBondContact O-N 2.7Å; V276-I294 HydrophobicContact CG2-CD1 4.28Å; V277-I294 PolarHBondContact N-O 3.36Å; V292-I294 HydrophobicContact CG1-CG1 4.17Å
295	L	96	Very high	93.4	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.9	161.9	-175.4	63.1	88.8	0	0	0	112.6	L247 I248 V249 C250 V277 F299 M300 L307	L247-L295 HydrophobicContact CD1-CD2 3.46Å; L247-L295 VanDerWaalsContact CD1-CD2 3.46Å; L247-L295 HydrophobicContact CD1-CG 3.81Å; I248-L295 PolarHBondContact O-N 3.49Å; V249-L295 WeakPolarHBondContact CA-O 3.1Å; V249-L295 HydrophobicContact CG1-CD1 4.37Å; V249-L295 HydrophobicContact CG2-CD1 4Å; C250-L295 PolarHBondContact N-O 2.96Å; V277-L295 HydrophobicContact CB-CB 3.77Å; V277-L295 HydrophobicContact CG2-CB 4.01Å; V277-L295 HydrophobicContact CG2-CD2 4.29Å; L295-F299 HydrophobicContact CB-CB 4.2Å; L295-F299 HydrophobicContact CD1-CB 4.29Å; L295-M300 HydrophobicContact CD1-CB 3.59Å; L295-L307 HydrophobicContact CD1-CD1 4.44Å; L295-L307 HydrophobicContact CD2-CD1 4.05Å; L295-L307 HydrophobicContact CD2-CD2 3.73Å
296	S	95	Very high	93.7	Very high	2 Å²	2	48.6 Å²	48.6	1%	0.014	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	161.7	178.6	80.5	0	0	0	0	112.4	C250 S252 D298 F299 M300	C250-S296 VanDerWaalsContact O-CA 3.26Å; C250-S296 WeakPolarHBondContact O-CA 3.45Å; S252-S296 WeakPolarHBondContact OG-CB 3.34Å; S296-D298 PolarHBondContact O-N 2.81Å; S296-D298 PolarHBondContact OG-N 3.16Å; S296-F299 PolarHBondContact O-N 2.91Å; S296-F299 WeakPolarHBondContact OG-CD2 3.49Å; S296-F299 PolarHBondContact OG-N 3.35Å; S296-M300 PolarHBondContact O-N 3.08Å
297	Y	95.8	Very high	94.1	Very high	9 Å²	9	46 Å²	46	4%	0.035	24%	0.238	C	C	.	.	H	α-helix	trans	-55.9	-31.5	173.2	-76.1	-90.9	0	0	0	113.5	V249 M300 V301 M317 D318 E319 C320 N322 I323	V249-Y297 HydrophobicContact CG1-CD1 3.87Å; V249-Y297 HydrophobicContact CG1-CD2 4.02Å; V249-Y297 HydrophobicContact CG1-CE1 4Å; V249-Y297 HydrophobicContact CG1-CE2 4.12Å; V249-Y297 HydrophobicContact CG1-CG 3.88Å; Y297-M300 HydrophobicContact CD1-CE 3.94Å; Y297-M300 WeakPolarHBondContact O-CB 3.33Å; Y297-V301 WeakPolarHBondContact O-CG2 3.39Å; Y297-V301 PolarHBondContact O-N 3.02Å; Y297-M317 HydrophobicContact CD1-CE 3.96Å; Y297-M317 HydrophobicContact CE1-CE 3.29Å; Y297-D318 VanDerWaalsContact CE2-O 3.3Å; Y297-D318 WeakPolarHBondContact CE2-O 3.4Å; Y297-D318 PolarHBondContact OH-O 2.78Å; Y297-E319 PolarHBondContact OH-O 3.39Å; Y297-C320 WeakPolarHBondContact OH-CA 3.17Å; Y297-N322 HydrophobicContact CD1-CB 3.89Å; Y297-N322 HydrophobicContact CD2-CB 4.02Å; Y297-N322 HydrophobicContact CE1-CB 3.65Å; Y297-N322 HydrophobicContact CE2-CB 3.82Å; Y297-N322 HydrophobicContact CG-CB 4.06Å; Y297-I323 HydrophobicContact CD1-CG2 4.13Å; Y297-I323 HydrophobicContact CE1-CG2 3.77Å
298	D	93.8	Very high	94.3	Very high	87 Å²	87	44.4 Å²	44.4	47%	0.465	23%	0.229	S	C	.	.	H	α-helix	trans	-76.1	-40.1	178.9	-60.2	-40.6	0	0	0	111.2	S296 M300 V301 N302 R330	S296-D298 PolarHBondContact O-N 2.81Å; S296-D298 PolarHBondContact OG-N 3.16Å; D298-M300 VanDerWaalsContact C-N 3.29Å; D298-M300 PolarHBondContact O-N 2.95Å; D298-V301 PolarHBondContact O-N 2.77Å; D298-N302 VanDerWaalsContact O-CG 3.29Å; D298-N302 PolarHBondContact O-N 2.94Å; D298-N302 PolarHBondContact O-ND2 3.07Å; D298-R330 IonicContact OD1-NE 2.9Å
299	F	95	Very high	94.6	Very high	36 Å²	36	47 Å²	47	16%	0.158	23%	0.226	C	C	.	.	H	α-helix	trans	-62.3	-36.8	170.7	-75.1	-64.8	0	0	0	112	N278 L295 S296 V301 N302 M303	N278-F299 VanDerWaalsContact O-CZ 3.25Å; N278-F299 WeakPolarHBondContact O-CZ 3.35Å; L295-F299 HydrophobicContact CB-CB 4.2Å; L295-F299 HydrophobicContact CD1-CB 4.29Å; S296-F299 PolarHBondContact O-N 2.91Å; S296-F299 WeakPolarHBondContact OG-CD2 3.49Å; S296-F299 PolarHBondContact OG-N 3.35Å; F299-V301 VanDerWaalsContact C-N 3.27Å; F299-V301 PolarHBondContact O-N 3.48Å; F299-N302 PolarHBondContact O-N 3.03Å; F299-M303 HydrophobicContact CB-SD 4.39Å; F299-M303 HydrophobicContact CD1-SD 4.36Å; F299-M303 VanDerWaalsContact O-CB 3.27Å; F299-M303 WeakPolarHBondContact O-CB 3.47Å; F299-M303 WeakPolarHBondContact O-CG 3.49Å; F299-M303 PolarHBondContact O-N 2.75Å
300	M	96.2	Very high	94.6	Very high	1 Å²	1	43.2 Å²	43.2	1%	0.005	21%	0.207	C	C	.	.	H	α-helix	trans	-59.1	-40.8	175.4	-179.1	-169.9	61	0	0	111.8	V249 L295 S296 Y297 D298 E304 L307 M317 R330 A333 A334 L337	V249-M300 HydrophobicContact CG1-CB 4.35Å; V249-M300 HydrophobicContact CG1-SD 4.06Å; V249-M300 HydrophobicContact CG2-SD 4.11Å; L295-M300 HydrophobicContact CD1-CB 3.59Å; S296-M300 PolarHBondContact O-N 3.08Å; Y297-M300 HydrophobicContact CD1-CE 3.94Å; Y297-M300 WeakPolarHBondContact O-CB 3.33Å; D298-M300 VanDerWaalsContact C-N 3.29Å; D298-M300 PolarHBondContact O-N 2.95Å; M300-E304 WeakPolarHBondContact O-CA 3.17Å; M300-E304 PolarHBondContact O-N 3.26Å; M300-L307 HydrophobicContact CB-CD1 4.34Å; M300-L307 HydrophobicContact CG-CD1 4.14Å; M300-M317 HydrophobicContact CE-CE 4.08Å; M300-M317 HydrophobicContact SD-CE 3.67Å; M300-R330 VanDerWaalsContact CE-O 3.28Å; M300-R330 WeakPolarHBondContact CE-O 3.31Å; M300-A333 HydrophobicContact CE-CB 4.24Å; M300-A333 HydrophobicContact CG-CB 4.38Å; M300-A334 HydrophobicContact CE-CB 3.89Å; M300-A334 HydrophobicContact SD-CB 3.96Å; M300-L337 HydrophobicContact CG-CD1 3.72Å; M300-L337 HydrophobicContact SD-CD1 4.13Å
301	V	95.9	Very high	94.5	Very high	27 Å²	27	44.7 Å²	44.7	16%	0.164	22%	0.217	C	C	.	.	H	α-helix	trans	-69.5	-44.7	177.2	172.1	0	0	0	0	110.8	Y297 D298 F299 M303 R329 R330 A333	Y297-V301 WeakPolarHBondContact O-CG2 3.39Å; Y297-V301 PolarHBondContact O-N 3.02Å; D298-V301 PolarHBondContact O-N 2.77Å; F299-V301 VanDerWaalsContact C-N 3.27Å; F299-V301 PolarHBondContact O-N 3.48Å; V301-M303 VanDerWaalsContact C-N 3.28Å; V301-M303 PolarHBondContact O-N 3.37Å; V301-R329 HydrophobicContact CG1-CB 3.75Å; V301-R329 HydrophobicContact CG2-CB 4.23Å; V301-R330 HydrophobicContact CG2-CB 4.28Å; V301-R330 HydrophobicContact CG2-CG 3.93Å; V301-A333 HydrophobicContact CG2-CB 4.22Å
302	N	94.4	Very high	94.6	Very high	108 Å²	108	41.4 Å²	41.4	58%	0.578	20%	0.201	S	C	*	.	H	α-helix	trans	-70.3	-25.9	-177.5	-66.4	-15.7	0	0	0	113	D298 F299	D298-N302 VanDerWaalsContact O-CG 3.29Å; D298-N302 PolarHBondContact O-N 2.94Å; D298-N302 PolarHBondContact O-ND2 3.07Å; F299-N302 PolarHBondContact O-N 3.03Å
303	M	93.7	Very high	94.5	Very high	5 Å²	5	45.2 Å²	45.2	3%	0.025	22%	0.218	C	C	.	.	T	Hydrogen-bonded Turn	trans	-112.4	23.2	-176.1	-55.3	175	74.5	0	0	112.5	V277 L285 F299 V301 E305 Q306 L307	V277-M303 HydrophobicContact CG1-CE 4.3Å; V277-M303 HydrophobicContact CG1-SD 3.82Å; L285-M303 HydrophobicContact CD1-CE 3.85Å; L285-M303 HydrophobicContact CG-CE 4.32Å; F299-M303 HydrophobicContact CB-SD 4.39Å; F299-M303 HydrophobicContact CD1-SD 4.36Å; F299-M303 VanDerWaalsContact O-CB 3.27Å; F299-M303 WeakPolarHBondContact O-CB 3.47Å; F299-M303 WeakPolarHBondContact O-CG 3.49Å; F299-M303 PolarHBondContact O-N 2.75Å; V301-M303 VanDerWaalsContact C-N 3.28Å; V301-M303 PolarHBondContact O-N 3.37Å; M303-E305 VanDerWaalsContact C-N 3.26Å; M303-E305 PolarHBondContact O-N 3.3Å; M303-Q306 PolarHBondContact O-N 2.86Å; M303-Q306 PolarHBondContact O-OE1 3.27Å; M303-L307 HydrophobicContact CB-CD1 4.26Å; M303-L307 HydrophobicContact CB-CG 4.23Å; M303-L307 WeakPolarHBondContact O-CB 3.22Å; M303-L307 WeakPolarHBondContact O-CG 3.43Å; M303-L307 PolarHBondContact O-N 3.28Å
304	E	93.4	Very high	94.6	Very high	52 Å²	52	45.2 Å²	45.2	24%	0.243	22%	0.218	C	C	.	.	H	α-helix	trans	-55.1	-41	-172.7	-175	-168.3	134.6	0	0	112.4	M300 T308 A333 K336	M300-E304 WeakPolarHBondContact O-CA 3.17Å; M300-E304 PolarHBondContact O-N 3.26Å; E304-T308 WeakPolarHBondContact O-CB 3.14Å; E304-T308 PolarHBondContact O-N 3.48Å; E304-T308 PolarHBondContact O-OG1 2.97Å; E304-A333 HydrophobicContact CB-CB 4.36Å; E304-A333 HydrophobicContact CG-CB 3.98Å; E304-K336 HydrophobicContact CG-CD 4.13Å; E304-K336 WeakPolarHBondContact OE1-CD 3.46Å; E304-K336 WeakPolarHBondContact OE1-CE 3.45Å; E304-K336 IonicContact OE1-NZ 3.93Å; E304-K336 PolarHBondContact OE1-NZ 3.4Å
305	E	92.6	Very high	94.6	Very high	140 Å²	140	45.4 Å²	45.4	65%	0.654	22%	0.219	S	C	*	.	H	α-helix	trans	-67.7	-52	-178.4	-65.6	-176.2	168.5	0	0	111	M303 L307 T308 E309	M303-E305 VanDerWaalsContact C-N 3.26Å; M303-E305 PolarHBondContact O-N 3.3Å; E305-L307 VanDerWaalsContact C-N 3.31Å; E305-L307 PolarHBondContact O-N 3.45Å; E305-T308 WeakPolarHBondContact O-CA 3.3Å; E305-T308 WeakPolarHBondContact O-CB 3.33Å; E305-T308 PolarHBondContact O-N 3.25Å; E305-E309 WeakPolarHBondContact O-CG 3.4Å; E305-E309 PolarHBondContact O-N 3.28Å
306	Q	92.5	Very high	94.8	Very high	76 Å²	76	45.4 Å²	45.4	36%	0.355	22%	0.219	S	C	.	.	H	α-helix	trans	-62.5	-38.6	179.4	-55.7	91.2	-25.4	0	0	111.9	L285 M303 T308 E309 K310	L285-Q306 HydrophobicContact CD1-CB 3.46Å; L285-Q306 VanDerWaalsContact CD1-CB 3.46Å; M303-Q306 PolarHBondContact O-N 2.86Å; M303-Q306 PolarHBondContact O-OE1 3.27Å; Q306-T308 VanDerWaalsContact C-N 3.31Å; Q306-T308 PolarHBondContact O-N 2.97Å; Q306-E309 PolarHBondContact O-N 3.48Å; Q306-K310 PolarHBondContact O-N 2.94Å
307	L	94.4	Very high	94.9	Very high	1 Å²	1	45.3 Å²	45.3	1%	0.005	22%	0.218	C	C	.	.	H	α-helix	trans	-67	-33.6	175.5	-68	173.6	0	0	0	112	L247 L285 L295 M300 M303 E305 F312 L337	L247-L307 HydrophobicContact CD1-CD2 4.4Å; L247-L307 HydrophobicContact CD2-CD2 4.44Å; L285-L307 HydrophobicContact CD1-CD2 3.82Å; L285-L307 HydrophobicContact CD1-CG 4.23Å; L285-L307 HydrophobicContact CD2-CD2 3.87Å; L295-L307 HydrophobicContact CD1-CD1 4.44Å; L295-L307 HydrophobicContact CD2-CD1 4.05Å; L295-L307 HydrophobicContact CD2-CD2 3.73Å; M300-L307 HydrophobicContact CB-CD1 4.34Å; M300-L307 HydrophobicContact CG-CD1 4.14Å; M303-L307 HydrophobicContact CB-CD1 4.26Å; M303-L307 HydrophobicContact CB-CG 4.23Å; M303-L307 WeakPolarHBondContact O-CB 3.22Å; M303-L307 WeakPolarHBondContact O-CG 3.43Å; M303-L307 PolarHBondContact O-N 3.28Å; E305-L307 VanDerWaalsContact C-N 3.31Å; E305-L307 PolarHBondContact O-N 3.45Å; L307-F312 HydrophobicContact CD2-CD2 4.44Å; L307-F312 HydrophobicContact CD2-CE2 3.59Å; L307-F312 HydrophobicContact CD2-CZ 4.27Å; L307-L337 HydrophobicContact CB-CD1 4.17Å; L307-L337 HydrophobicContact CB-CD2 3.74Å; L307-L337 HydrophobicContact CD1-CD1 4.08Å
308	T	93.1	Very high	94.9	Very high	16 Å²	16	45.7 Å²	45.7	10%	0.098	22%	0.221	C	C	.	.	H	α-helix	trans	-68.4	-37.6	175.2	-60.1	0	0	0	0	111.2	E304 E305 Q306 R340	E304-T308 WeakPolarHBondContact O-CB 3.14Å; E304-T308 PolarHBondContact O-N 3.48Å; E304-T308 PolarHBondContact O-OG1 2.97Å; E305-T308 WeakPolarHBondContact O-CA 3.3Å; E305-T308 WeakPolarHBondContact O-CB 3.33Å; E305-T308 PolarHBondContact O-N 3.25Å; Q306-T308 VanDerWaalsContact C-N 3.31Å; Q306-T308 PolarHBondContact O-N 2.97Å; T308-R340 VanDerWaalsContact CG2-NH1 3.33Å
309	E	92.8	Very high	94.8	Very high	147 Å²	147	42.9 Å²	42.9	69%	0.687	21%	0.205	S	C	*	.	H	α-helix	trans	-69.5	-39	177.9	-71.7	173.3	-177.4	0	0	113.1	E305 Q306 Q311	E305-E309 WeakPolarHBondContact O-CG 3.4Å; E305-E309 PolarHBondContact O-N 3.28Å; Q306-E309 PolarHBondContact O-N 3.48Å; E309-Q311 WeakPolarHBondContact O-CG 3.45Å; E309-Q311 PolarHBondContact O-N 2.81Å
310	K	92.1	Very high	94.7	Very high	60 Å²	60	41.1 Å²	41.1	26%	0.261	20%	0.197	S	C	.	.	H	α-helix	trans	-65.9	-20	178.4	-170.4	63.6	170.1	-165.4	0	113.8	L285 Q306 F312	L285-K310 WeakPolarHBondContact O-CD 3.46Å; L285-K310 VanDerWaalsContact O-CE 3.25Å; L285-K310 WeakPolarHBondContact O-CE 3.39Å; L285-K310 PolarHBondContact O-NZ 3.2Å; Q306-K310 PolarHBondContact O-N 2.94Å; K310-F312 HydrophobicContact CB-CD2 4.26Å; K310-F312 HydrophobicContact CB-CE2 3.75Å; K310-F312 HydrophobicContact CB-CZ 4.21Å; K310-F312 HydrophobicContact CG-CD2 4.35Å; K310-F312 HydrophobicContact CG-CE1 4.21Å; K310-F312 HydrophobicContact CG-CE2 3.72Å; K310-F312 HydrophobicContact CG-CZ 3.66Å
311	Q	91.5	Very high	94.4	Very high	95 Å²	95	42 Å²	42	44%	0.444	20%	0.201	S	C	.	.	T	Hydrogen-bonded Turn	trans	55	51.5	176	-56.9	-169.6	6.9	0	0	116.3	E309 K313	E309-Q311 WeakPolarHBondContact O-CG 3.45Å; E309-Q311 PolarHBondContact O-N 2.81Å; Q311-K313 WeakPolarHBondContact O-CE 3.01Å; Q311-K313 PolarHBondContact O-N 2.86Å
312	F	96.4	Very high	94.2	Very high	8 Å²	8	42.6 Å²	42.6	4%	0.035	20%	0.204	C	C	.	.			trans	-50.9	123.3	172.3	-65.1	-80.2	0	0	0	112.5	P245 L247 L285 F293 L307 K310 I315	P245-F312 HydrophobicContact CB-CD1 3.96Å; P245-F312 HydrophobicContact CB-CE1 3.9Å; P245-F312 HydrophobicContact CG-CD1 3.87Å; P245-F312 HydrophobicContact CG-CE1 4.07Å; L247-F312 HydrophobicContact CB-CB 4.04Å; L247-F312 HydrophobicContact CB-CD1 3.48Å; L247-F312 VanDerWaalsContact CB-CD1 3.48Å; L247-F312 HydrophobicContact CB-CD2 4.05Å; L247-F312 HydrophobicContact CB-CE1 3.83Å; L247-F312 HydrophobicContact CB-CE2 4.38Å; L247-F312 HydrophobicContact CB-CG 3.57Å; L247-F312 HydrophobicContact CB-CZ 4.27Å; L247-F312 HydrophobicContact CD1-CZ 4.45Å; L247-F312 HydrophobicContact CD2-CD2 3.87Å; L247-F312 HydrophobicContact CD2-CE2 4.22Å; L247-F312 HydrophobicContact CD2-CG 4.17Å; L247-F312 HydrophobicContact CG-CD2 4.47Å; L247-F312 HydrophobicContact CG-CG 4.45Å; L285-F312 HydrophobicContact CD2-CE2 4.3Å; L285-F312 HydrophobicContact CD2-CZ 3.97Å; F293-F312 HydrophobicContact CB-CE1 4.14Å; F293-F312 HydrophobicContact CB-CZ 4.1Å; F293-F312 AromaticContact CD2-CE1 3.45Å; F293-F312 HydrophobicContact CD2-CE1 3.45Å; F293-F312 VanDerWaalsContact CD2-CE1 3.45Å; F293-F312 AromaticContact CD2-CZ 3.76Å; F293-F312 HydrophobicContact CD2-CZ 3.76Å; F293-F312 HydrophobicContact CE2-CE1 4.06Å; F293-F312 HydrophobicContact CE2-CZ 4.29Å; F293-F312 AromaticContact CG-CE1 3.96Å; F293-F312 HydrophobicContact CG-CE1 3.96Å; F293-F312 AromaticContact CG-CZ 3.88Å; F293-F312 HydrophobicContact CG-CZ 3.88Å; L307-F312 HydrophobicContact CD2-CD2 4.44Å; L307-F312 HydrophobicContact CD2-CE2 3.59Å; L307-F312 HydrophobicContact CD2-CZ 4.27Å; K310-F312 HydrophobicContact CB-CD2 4.26Å; K310-F312 HydrophobicContact CB-CE2 3.75Å; K310-F312 HydrophobicContact CB-CZ 4.21Å; K310-F312 HydrophobicContact CG-CD2 4.35Å; K310-F312 HydrophobicContact CG-CE1 4.21Å; K310-F312 HydrophobicContact CG-CE2 3.72Å; K310-F312 HydrophobicContact CG-CZ 3.66Å; F312-I315 HydrophobicContact CB-CD1 4.33Å; F312-I315 HydrophobicContact CB-CG1 4Å
313	K	96.2	Very high	94.1	Very high	79 Å²	79	37.5 Å²	37.5	34%	0.343	18%	0.176	S	C	.	.	S	Bend	trans	-88.3	-26.7	177.2	-49.1	-59.8	178.3	-168.6	0	111.9	E243 Q311 R342 R343	E243-K313 HydrophobicContact CB-CB 4.22Å; E243-K313 VanDerWaalsContact O-CB 3.25Å; E243-K313 WeakPolarHBondContact O-CB 3.5Å; E243-K313 WeakPolarHBondContact O-CG 3.43Å; Q311-K313 WeakPolarHBondContact O-CE 3.01Å; Q311-K313 PolarHBondContact O-N 2.86Å; K313-R342 HydrophobicContact CB-CB 4.19Å; K313-R342 CarbonylContact O-C 3.52Å; K313-R342 WeakPolarHBondContact O-CA 3.44Å; K313-R342 PolarHBondContact O-N 3.14Å; K313-R343 PolarHBondContact O-N 3.31Å
314	I	98.2	Very high	93.9	Very high	0 Å²	0	41 Å²	41	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	125.2	174.1	-178.9	161.9	0	0	0	110.7	A237 Y240 L246 L247 R343	A237-I314 HydrophobicContact CB-CD1 3.79Å; Y240-I314 HydrophobicContact CD2-CD1 4.48Å; L246-I314 HydrophobicContact CB-CG2 4.01Å; L246-I314 HydrophobicContact CD1-CB 4.35Å; L246-I314 HydrophobicContact CD1-CD1 4.35Å; L246-I314 HydrophobicContact CD1-CG1 3.84Å; L246-I314 HydrophobicContact CD1-CG2 3.79Å; L247-I314 PolarHBondContact N-O 2.63Å; I314-R343 HydrophobicContact CB-CB 3.96Å; I314-R343 HydrophobicContact CB-CG 4.29Å; I314-R343 HydrophobicContact CD1-CB 4.1Å; I314-R343 HydrophobicContact CD1-CG 4.41Å; I314-R343 HydrophobicContact CG1-CB 3.82Å; I314-R343 HydrophobicContact CG1-CG 4.45Å
315	I	98.6	Very high	93.7	Very high	4 Å²	4	41.9 Å²	41.9	2%	0.021	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	126.7	178.9	-54.7	-177.4	0	0	0	109	L247 F312 M317 L337 L338 A341 R343 A344 L345	L247-I315 HydrophobicContact CB-CG1 4.28Å; L247-I315 HydrophobicContact CD2-CD1 4.24Å; L247-I315 HydrophobicContact CD2-CG1 4.31Å; L247-I315 HydrophobicContact CD2-CG2 4.26Å; L247-I315 HydrophobicContact CG-CG2 4.36Å; L247-I315 CarbonylContact O-C 3.49Å; L247-I315 VanDerWaalsContact O-CA 3.31Å; L247-I315 WeakPolarHBondContact O-CA 3.37Å; F312-I315 HydrophobicContact CB-CD1 4.33Å; F312-I315 HydrophobicContact CB-CG1 4Å; I315-M317 HydrophobicContact CG2-CG 4.21Å; I315-L337 HydrophobicContact CD1-CB 3.82Å; I315-L338 HydrophobicContact CB-CD2 3.89Å; I315-L338 HydrophobicContact CD1-CD2 4.36Å; I315-L338 HydrophobicContact CG2-CD2 3.81Å; I315-A341 HydrophobicContact CB-CB 4.46Å; I315-A341 HydrophobicContact CD1-CB 3.67Å; I315-A341 HydrophobicContact CG1-CB 3.78Å; I315-R343 PolarHBondContact N-O 2.89Å; I315-R343 VanDerWaalsContact N-O 3.15Å; I315-A344 WeakPolarHBondContact O-CA 3.19Å; I315-L345 PolarHBondContact O-N 3.15Å
316	I	98.7	Very high	93.5	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	130.9	166.8	-60.4	174.1	0	0	0	107.7	A233 A237 L246 L247 I248 V249 W258 L345 L347	A233-I316 HydrophobicContact CB-CD1 4.09Å; A233-I316 HydrophobicContact CB-CG2 4.41Å; A237-I316 HydrophobicContact CB-CD1 4.09Å; L246-I316 HydrophobicContact CD1-CD1 4Å; L246-I316 HydrophobicContact CD1-CG1 4.06Å; L247-I316 PolarHBondContact O-N 2.76Å; I248-I316 WeakPolarHBondContact CA-O 3.1Å; I248-I316 HydrophobicContact CG1-CB 4.1Å; I248-I316 HydrophobicContact CG1-CD1 4.13Å; V249-I316 PolarHBondContact N-O 2.68Å; W258-I316 HydrophobicContact CH2-CD1 4.39Å; W258-I316 HydrophobicContact CH2-CG2 3.92Å; W258-I316 HydrophobicContact CZ2-CG2 4.29Å; W258-I316 HydrophobicContact CZ3-CD1 4.32Å; I316-L345 CarbonylContact C-O 3.54Å; I316-L345 VanDerWaalsContact CA-O 3.3Å; I316-L345 WeakPolarHBondContact CA-O 3.21Å; I316-L345 HydrophobicContact CD1-CD1 4.49Å; I316-L345 HydrophobicContact CG1-CB 4.13Å; I316-L345 HydrophobicContact CG1-CD1 4.1Å; I316-L347 HydrophobicContact CG2-CD1 3.81Å; I316-L347 HydrophobicContact CG2-CG 4.07Å
317	M	98.1	Very high	93.3	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	108.1	166.6	-54.9	-163.8	90.7	0	0	110	V249 Y297 M300 I315 C320 I323 A334 L338 L345 L346 L347	V249-M317 HydrophobicContact CB-CE 3.95Å; V249-M317 HydrophobicContact CB-CG 4.4Å; V249-M317 HydrophobicContact CG1-CE 3.84Å; V249-M317 HydrophobicContact CG2-CE 4.34Å; V249-M317 CarbonylContact O-C 3.54Å; V249-M317 WeakPolarHBondContact O-CA 3.47Å; Y297-M317 HydrophobicContact CD1-CE 3.96Å; Y297-M317 HydrophobicContact CE1-CE 3.29Å; M300-M317 HydrophobicContact CE-CE 4.08Å; M300-M317 HydrophobicContact SD-CE 3.67Å; I315-M317 HydrophobicContact CG2-CG 4.21Å; M317-C320 HydrophobicContact CB-CB 4.35Å; M317-I323 HydrophobicContact CE-CG2 4.22Å; M317-I323 HydrophobicContact SD-CD1 3.98Å; M317-A334 HydrophobicContact CE-CB 3.71Å; M317-A334 HydrophobicContact SD-CB 3.95Å; M317-L338 HydrophobicContact CG-CD1 4.44Å; M317-L338 HydrophobicContact CG-CD2 4.43Å; M317-L338 HydrophobicContact SD-CD1 3.56Å; M317-L338 VanDerWaalsContact SD-CD1 3.56Å; M317-L338 HydrophobicContact SD-CG 4.39Å; M317-L345 PolarHBondContact N-O 2.8Å; M317-L346 HydrophobicContact CB-CD2 3.56Å; M317-L346 HydrophobicContact CG-CD2 3.58Å; M317-L346 HydrophobicContact SD-CD2 3.76Å; M317-L347 PolarHBondContact O-N 3.4Å
318	D	96.2	Very high	93.3	Very high	18 Å²	18	45.9 Å²	45.9	10%	0.096	22%	0.215	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.8	145.9	173.7	-166.6	16.3	0	0	0	111.1	V249 C250 W258 Y297 C320 L347	V249-D318 PolarHBondContact O-N 3.18Å; C250-D318 HydrophobicContact CB-CB 3.69Å; W258-D318 HydrophobicContact CZ2-CB 3.95Å; W258-D318 PolarHBondContact NE1-OD2 2.87Å; Y297-D318 VanDerWaalsContact CE2-O 3.3Å; Y297-D318 WeakPolarHBondContact CE2-O 3.4Å; Y297-D318 PolarHBondContact OH-O 2.78Å; D318-C320 VanDerWaalsContact C-N 3.32Å; D318-C320 PolarHBondContact O-N 3.14Å; D318-L347 HydrophobicContact CB-CD1 4.45Å
319	E	91.1	Very high	93.4	Very high	27 Å²	27	54 Å²	54	13%	0.126	24%	0.244	C	C	.	.	T	Hydrogen-bonded Turn	trans	46.5	53.5	-172	-67.3	-66.7	-169.8	0	0	112.7	P251 Y297 H321 N322 L347 K493	P251-E319 HydrophobicContact CG-CB 3.89Å; P251-E319 HydrophobicContact CG-CG 4.08Å; Y297-E319 PolarHBondContact OH-O 3.39Å; E319-H321 PolarHBondContact O-N 2.98Å; E319-H321 IonicContact OE2-CE1 3.16Å; E319-H321 PolarHBondContact OE2-CE1 3.13Å; E319-H321 IonicContact OE2-ND1 2.73Å; E319-H321 PolarHBondContact OE2-ND1 3.07Å; E319-N322 WeakPolarHBondContact O-CB 3.5Å; E319-N322 PolarHBondContact O-N 3.2Å; E319-N322 PolarHBondContact O-ND2 3.38Å; E319-L347 WeakPolarHBondContact CA-O 3.25Å; E319-L347 PolarHBondContact N-O 3.49Å; E319-K493 IonicContact OE1-NZ 3.93Å; E319-K493 PolarHBondContact OE1-NZ 3.14Å
320	C	93.6	Very high	93.6	Very high	0 Å²	0	51.3 Å²	51.3	0%	0	23%	0.227	C	C	.	.	G	3₁₀ helix	trans	-63.1	-3.9	-175.1	73.7	0	0	0	0	114.7	Y297 M317 D318 N322 I323 L346 L347 Q362	Y297-C320 WeakPolarHBondContact OH-CA 3.17Å; M317-C320 HydrophobicContact CB-CB 4.35Å; D318-C320 VanDerWaalsContact C-N 3.32Å; D318-C320 PolarHBondContact O-N 3.14Å; C320-N322 PolarHBondContact O-N 2.89Å; C320-N322 VanDerWaalsContact O-N 3.14Å; C320-I323 WeakPolarHBondContact O-CG1 3.46Å; C320-I323 PolarHBondContact O-N 3.39Å; C320-I323 VanDerWaalsContact O-N 3.15Å; C320-L346 HydrophobicContact CB-CB 3.93Å; C320-L346 HydrophobicContact CB-CD1 4.47Å; C320-L346 HydrophobicContact CB-CD2 4.34Å; C320-L346 HydrophobicContact CB-CG 4.48Å; C320-L347 PolarHBondContact N-O 2.9Å; C320-Q362 PolarHBondContact O-NE2 2.78Å
321	H	89.6	Confident	93.7	Very high	18 Å²	18	49.7 Å²	49.7	8%	0.083	22%	0.22	C	C	.	.	G	3₁₀ helix	trans	-59.4	-18.1	167	68.9	-101.9	0	0	0	112	E319 I323 K324	E319-H321 PolarHBondContact O-N 2.98Å; E319-H321 IonicContact OE2-CE1 3.16Å; E319-H321 PolarHBondContact OE2-CE1 3.13Å; E319-H321 IonicContact OE2-ND1 2.73Å; E319-H321 PolarHBondContact OE2-ND1 3.07Å; H321-I323 PolarHBondContact O-N 3.41Å; H321-K324 VanDerWaalsContact O-CB 3.31Å; H321-K324 WeakPolarHBondContact O-CB 3.21Å; H321-K324 WeakPolarHBondContact O-CD 3.49Å; H321-K324 VanDerWaalsContact O-CG 3.24Å; H321-K324 WeakPolarHBondContact O-CG 3.37Å; H321-K324 PolarHBondContact O-N 3.21Å
322	N	90.8	Very high	93.9	Very high	41 Å²	41	50.1 Å²	50.1	22%	0.219	22%	0.222	C	C	.	.	G	3₁₀ helix	trans	-62.9	-18.5	172.7	-81.3	-63.3	0	0	0	115.3	Y297 E319 C320	Y297-N322 HydrophobicContact CD1-CB 3.89Å; Y297-N322 HydrophobicContact CD2-CB 4.02Å; Y297-N322 HydrophobicContact CE1-CB 3.65Å; Y297-N322 HydrophobicContact CE2-CB 3.82Å; Y297-N322 HydrophobicContact CG-CB 4.06Å; E319-N322 WeakPolarHBondContact O-CB 3.5Å; E319-N322 PolarHBondContact O-N 3.2Å; E319-N322 PolarHBondContact O-ND2 3.38Å; C320-N322 PolarHBondContact O-N 2.89Å; C320-N322 VanDerWaalsContact O-N 3.14Å
323	I	93.2	Very high	94	Very high	0 Å²	0	49.7 Å²	49.7	0%	0	22%	0.22	C	C	.	.	G	3₁₀ helix	trans	-107.9	20	176.9	59.4	160.2	0	0	0	113.2	Y297 M317 C320 H321 N325 R330 A334 L346 T361 Q362	Y297-I323 HydrophobicContact CD1-CG2 4.13Å; Y297-I323 HydrophobicContact CE1-CG2 3.77Å; M317-I323 HydrophobicContact CE-CG2 4.22Å; M317-I323 HydrophobicContact SD-CD1 3.98Å; C320-I323 WeakPolarHBondContact O-CG1 3.46Å; C320-I323 PolarHBondContact O-N 3.39Å; C320-I323 VanDerWaalsContact O-N 3.15Å; H321-I323 PolarHBondContact O-N 3.41Å; I323-N325 PolarHBondContact O-N 3.19Å; I323-R330 HydrophobicContact CG2-CB 4.36Å; I323-A334 HydrophobicContact CD1-CB 4.37Å; I323-A334 HydrophobicContact CG2-CB 3.8Å; I323-L346 HydrophobicContact CD1-CD1 4.47Å; I323-T361 WeakPolarHBondContact O-CB 3.3Å; I323-T361 PolarHBondContact O-OG1 2.95Å; I323-Q362 HydrophobicContact CG1-CG 4.5Å
324	K	89.2	Confident	94	Very high	80 Å²	80	46 Å²	46	35%	0.348	20%	0.204	S	C	.	.			trans	-63.3	-18.3	-177.7	68.1	-175.5	175.6	-176.7	0	115.7	H321 L353 E358 T361	H321-K324 VanDerWaalsContact O-CB 3.31Å; H321-K324 WeakPolarHBondContact O-CB 3.21Å; H321-K324 WeakPolarHBondContact O-CD 3.49Å; H321-K324 VanDerWaalsContact O-CG 3.24Å; H321-K324 WeakPolarHBondContact O-CG 3.37Å; H321-K324 PolarHBondContact O-N 3.21Å; K324-L353 HydrophobicContact CD-CD1 4.08Å; K324-E358 HydrophobicContact CB-CB 4.19Å; K324-T361 WeakPolarHBondContact CA-OG1 3.45Å
325	N	88.4	Confident	93.9	Very high	70 Å²	70	48.5 Å²	48.5	37%	0.374	22%	0.216	S	C	.	.			trans	-113.1	114.3	-173.9	-179.3	0.3	0	0	0	111.7	I323 K327 T328 Y331	I323-N325 PolarHBondContact O-N 3.19Å; N325-K327 PolarHBondContact O-N 3.09Å; N325-K327 PolarHBondContact OD1-N 2.96Å; N325-T328 HydrophobicContact CB-CG2 3.73Å; N325-T328 PolarHBondContact O-N 3.43Å; N325-T328 PolarHBondContact O-OG1 2.72Å; N325-Y331 VanDerWaalsContact O-CB 3.28Å; N325-Y331 WeakPolarHBondContact O-CB 3.49Å
326	F	88.4	Confident	93.7	Very high	111 Å²	111	52.2 Å²	52.2	49%	0.487	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.5	-21.2	-179	66.1	-90.4	0	0	0	114.9	Y331 T361	F326-Y331 VanDerWaalsContact CA-CD1 3.45Å; F326-Y331 HydrophobicContact CB-CD1 4.23Å; F326-Y331 HydrophobicContact CB-CE1 4.13Å; F326-Y331 VanDerWaalsContact O-CD1 3.32Å; F326-Y331 WeakPolarHBondContact O-CD1 3.3Å; F326-T361 HydrophobicContact CB-CG2 4.12Å
327	K	89.2	Confident	93.6	Very high	151 Å²	151	52.7 Å²	52.7	66%	0.657	23%	0.234	S	C	*	.	T	Hydrogen-bonded Turn	trans	-85	-11.5	-180	-58.9	-171.9	179.5	-175.9	0	113.8	N325	N325-K327 PolarHBondContact O-N 3.09Å; N325-K327 PolarHBondContact OD1-N 2.96Å
328	T	93.9	Very high	93.6	Very high	38 Å²	38	52.7 Å²	52.7	23%	0.233	23%	0.234	C	C	.	.	S	Bend	trans	-82.3	145.2	-174.1	61	0	0	0	0	111.1	N325 R330 Y331 Q332	N325-T328 HydrophobicContact CB-CG2 3.73Å; N325-T328 PolarHBondContact O-N 3.43Å; N325-T328 PolarHBondContact O-OG1 2.72Å; T328-R330 PolarHBondContact O-N 3.49Å; T328-Y331 PolarHBondContact O-N 3.09Å; T328-Y331 VanDerWaalsContact O-N 3.14Å; T328-Y331 PolarHBondContact OG1-N 3.06Å; T328-Q332 PolarHBondContact O-N 2.96Å; T328-Q332 VanDerWaalsContact O-N 3.14Å
329	R	96.1	Very high	93.4	Very high	186 Å²	186	58.7 Å²	58.7	70%	0.702	26%	0.259	S	S	*	.	H	α-helix	trans	-57.5	-36.2	172.1	-68.6	-173.6	-179.7	178.2	-0.6	111.8	V301 Y331 Q332 A333	V301-R329 HydrophobicContact CG1-CB 3.75Å; V301-R329 HydrophobicContact CG2-CB 4.23Å; R329-Y331 VanDerWaalsContact C-N 3.34Å; R329-Y331 PolarHBondContact O-N 3.43Å; R329-Q332 PolarHBondContact O-N 3.33Å; R329-Q332 VanDerWaalsContact O-N 3.15Å; R329-A333 WeakPolarHBondContact O-CB 3.36Å; R329-A333 PolarHBondContact O-N 2.8Å
330	R	95.8	Very high	93.5	Very high	91 Å²	91	64.1 Å²	64.1	34%	0.343	28%	0.279	S	S	.	.	H	α-helix	trans	-55.1	-47.7	174.4	-62.8	-175.9	-149.3	146.5	0.5	112.3	D298 M300 V301 I323 T328 A334	D298-R330 IonicContact OD1-NE 2.9Å; M300-R330 VanDerWaalsContact CE-O 3.28Å; M300-R330 WeakPolarHBondContact CE-O 3.31Å; V301-R330 HydrophobicContact CG2-CB 4.28Å; V301-R330 HydrophobicContact CG2-CG 3.93Å; I323-R330 HydrophobicContact CG2-CB 4.36Å; T328-R330 PolarHBondContact O-N 3.49Å; R330-A334 WeakPolarHBondContact O-CB 3.41Å; R330-A334 PolarHBondContact O-N 2.96Å
331	Y	95.7	Very high	93.6	Very high	26 Å²	26	64.3 Å²	64.3	10%	0.102	28%	0.281	C	S	.	.	H	α-helix	trans	-64.9	-43.9	176.6	168.5	-100.4	0	0	0	111.7	N325 F326 T328 R329 A334 H335 T361 S364	N325-Y331 VanDerWaalsContact O-CB 3.28Å; N325-Y331 WeakPolarHBondContact O-CB 3.49Å; F326-Y331 VanDerWaalsContact CA-CD1 3.45Å; F326-Y331 HydrophobicContact CB-CD1 4.23Å; F326-Y331 HydrophobicContact CB-CE1 4.13Å; F326-Y331 VanDerWaalsContact O-CD1 3.32Å; F326-Y331 WeakPolarHBondContact O-CD1 3.3Å; T328-Y331 PolarHBondContact O-N 3.09Å; T328-Y331 VanDerWaalsContact O-N 3.14Å; T328-Y331 PolarHBondContact OG1-N 3.06Å; R329-Y331 VanDerWaalsContact C-N 3.34Å; R329-Y331 PolarHBondContact O-N 3.43Å; Y331-A334 PolarHBondContact O-N 3.14Å; Y331-H335 HydrophobicContact CE1-CB 4.39Å; Y331-H335 HydrophobicContact CE2-CB 4.18Å; Y331-H335 WeakPolarHBondContact O-CB 3.31Å; Y331-H335 PolarHBondContact O-N 2.67Å; Y331-T361 VanDerWaalsContact CD2-CB 3.49Å; Y331-T361 HydrophobicContact CD2-CG2 3.65Å; Y331-T361 HydrophobicContact CE2-CG2 3.57Å; Y331-T361 HydrophobicContact CG-CG2 4.24Å; Y331-S364 PolarHBondContact OH-OG 2.95Å
332	Q	95.7	Very high	94	Very high	104 Å²	104	70.4 Å²	70.4	49%	0.486	30%	0.303	S	S	.	.	H	α-helix	trans	-60.6	-48.9	-178.6	-68.4	171.8	-18.8	0	0	111.7	T328 R329 H335 K336	T328-Q332 PolarHBondContact O-N 2.96Å; T328-Q332 VanDerWaalsContact O-N 3.14Å; R329-Q332 PolarHBondContact O-N 3.33Å; R329-Q332 VanDerWaalsContact O-N 3.15Å; Q332-H335 PolarHBondContact O-N 2.91Å; Q332-K336 PolarHBondContact O-N 3.35Å; Q332-K336 VanDerWaalsContact O-N 3.11Å
333	A	96.8	Very high	94.3	Very high	0 Å²	0	69.6 Å²	69.6	0%	0	30%	0.297	C	S	.	.	H	α-helix	trans	-61.8	-49.5	175.9	0	0	0	0	0	111.5	M300 V301 E304 R329 H335 K336 L337	M300-A333 HydrophobicContact CE-CB 4.24Å; M300-A333 HydrophobicContact CG-CB 4.38Å; V301-A333 HydrophobicContact CG2-CB 4.22Å; E304-A333 HydrophobicContact CB-CB 4.36Å; E304-A333 HydrophobicContact CG-CB 3.98Å; R329-A333 WeakPolarHBondContact O-CB 3.36Å; R329-A333 PolarHBondContact O-N 2.8Å; A333-H335 VanDerWaalsContact C-N 3.34Å; A333-H335 PolarHBondContact O-N 3.42Å; A333-K336 PolarHBondContact O-N 2.68Å; A333-L337 WeakPolarHBondContact O-CG 3.24Å; A333-L337 PolarHBondContact O-N 3.06Å; A333-L337 VanDerWaalsContact O-N 3.14Å
334	A	97.2	Very high	94.5	Very high	1 Å²	1	69.6 Å²	69.6	1%	0.008	30%	0.297	C	S	.	.	H	α-helix	trans	-58.6	-44.3	177.7	0	0	0	0	0	112.3	M300 M317 I323 R330 Y331 K336 L337 L338	M300-A334 HydrophobicContact CE-CB 3.89Å; M300-A334 HydrophobicContact SD-CB 3.96Å; M317-A334 HydrophobicContact CE-CB 3.71Å; M317-A334 HydrophobicContact SD-CB 3.95Å; I323-A334 HydrophobicContact CD1-CB 4.37Å; I323-A334 HydrophobicContact CG2-CB 3.8Å; R330-A334 WeakPolarHBondContact O-CB 3.41Å; R330-A334 PolarHBondContact O-N 2.96Å; Y331-A334 PolarHBondContact O-N 3.14Å; A334-K336 PolarHBondContact O-N 3.29Å; A334-L337 PolarHBondContact O-N 3.32Å; A334-L338 HydrophobicContact CB-CD1 4.22Å; A334-L338 VanDerWaalsContact O-CB 3.3Å; A334-L338 WeakPolarHBondContact O-CB 3.4Å; A334-L338 WeakPolarHBondContact O-CD1 3.04Å; A334-L338 WeakPolarHBondContact O-CG 3.5Å; A334-L338 PolarHBondContact O-N 3.11Å
335	H	95.7	Very high	95	Very high	53 Å²	53	65.8 Å²	65.8	25%	0.245	28%	0.28	C	S	.	.	H	α-helix	trans	-62.8	-42.1	-179	-174.7	60.9	0	0	0	111.7	Y331 Q332 A333 K339	Y331-H335 HydrophobicContact CE1-CB 4.39Å; Y331-H335 HydrophobicContact CE2-CB 4.18Å; Y331-H335 WeakPolarHBondContact O-CB 3.31Å; Y331-H335 PolarHBondContact O-N 2.67Å; Q332-H335 PolarHBondContact O-N 2.91Å; A333-H335 VanDerWaalsContact C-N 3.34Å; A333-H335 PolarHBondContact O-N 3.42Å; H335-K339 WeakPolarHBondContact O-CB 3.47Å; H335-K339 PolarHBondContact O-N 3.49Å
336	K	94.8	Very high	95.4	Very high	81 Å²	81	62.5 Å²	62.5	35%	0.352	26%	0.263	S	S	.	.	H	α-helix	trans	-62.1	-43.9	176.8	-171.8	-175.7	-176.7	-172.2	0	112	E304 Q332 A333 A334	E304-K336 HydrophobicContact CG-CD 4.13Å; E304-K336 WeakPolarHBondContact OE1-CD 3.46Å; E304-K336 WeakPolarHBondContact OE1-CE 3.45Å; E304-K336 IonicContact OE1-NZ 3.93Å; E304-K336 PolarHBondContact OE1-NZ 3.4Å; Q332-K336 PolarHBondContact O-N 3.35Å; Q332-K336 VanDerWaalsContact O-N 3.11Å; A333-K336 PolarHBondContact O-N 2.68Å; A334-K336 PolarHBondContact O-N 3.29Å
337	L	96.9	Very high	95.8	Very high	10 Å²	10	57.2 Å²	57.2	5%	0.052	24%	0.24	C	C	.	.	H	α-helix	trans	-68.5	-52	178.7	-64.7	173.2	0	0	0	111.7	L247 M300 L307 I315 A333 A334 K339 R340 A341	L247-L337 HydrophobicContact CD2-CD1 4.43Å; M300-L337 HydrophobicContact CG-CD1 3.72Å; M300-L337 HydrophobicContact SD-CD1 4.13Å; L307-L337 HydrophobicContact CB-CD1 4.17Å; L307-L337 HydrophobicContact CB-CD2 3.74Å; L307-L337 HydrophobicContact CD1-CD1 4.08Å; I315-L337 HydrophobicContact CD1-CB 3.82Å; A333-L337 WeakPolarHBondContact O-CG 3.24Å; A333-L337 PolarHBondContact O-N 3.06Å; A333-L337 VanDerWaalsContact O-N 3.14Å; A334-L337 PolarHBondContact O-N 3.32Å; L337-K339 VanDerWaalsContact C-N 3.31Å; L337-K339 PolarHBondContact O-N 3.35Å; L337-R340 PolarHBondContact O-N 3.3Å; L337-R340 VanDerWaalsContact O-N 3.12Å; L337-A341 PolarHBondContact O-N 2.9Å
338	L	96.8	Very high	95.9	Very high	1 Å²	1	50 Å²	50	1%	0.005	21%	0.208	C	C	.	.	H	α-helix	trans	-66.7	-30.6	-175	-69.2	161.9	0	0	0	113.4	R218 I315 M317 A334 R340 A341 A344 L346 C365	R218-L338 PolarHBondContact NH2-O 3.45Å; I315-L338 HydrophobicContact CB-CD2 3.89Å; I315-L338 HydrophobicContact CD1-CD2 4.36Å; I315-L338 HydrophobicContact CG2-CD2 3.81Å; M317-L338 HydrophobicContact CG-CD1 4.44Å; M317-L338 HydrophobicContact CG-CD2 4.43Å; M317-L338 HydrophobicContact SD-CD1 3.56Å; M317-L338 VanDerWaalsContact SD-CD1 3.56Å; M317-L338 HydrophobicContact SD-CG 4.39Å; A334-L338 HydrophobicContact CB-CD1 4.22Å; A334-L338 VanDerWaalsContact O-CB 3.3Å; A334-L338 WeakPolarHBondContact O-CB 3.4Å; A334-L338 WeakPolarHBondContact O-CD1 3.04Å; A334-L338 WeakPolarHBondContact O-CG 3.5Å; A334-L338 PolarHBondContact O-N 3.11Å; L338-R340 VanDerWaalsContact C-N 3.25Å; L338-R340 PolarHBondContact O-N 3.16Å; L338-A341 PolarHBondContact O-N 3.14Å; L338-A344 HydrophobicContact CD2-CB 3.82Å; L338-L346 HydrophobicContact CD1-CD2 4.1Å; L338-L346 HydrophobicContact CD2-CD2 4.35Å; L338-C365 HydrophobicContact CB-CB 4.19Å; L338-C365 HydrophobicContact CD1-CB 3.54Å; L338-C365 HydrophobicContact CG-CB 4.49Å
339	K	93.1	Very high	95.4	Very high	143 Å²	143	48.6 Å²	48.6	62%	0.622	20%	0.201	S	C	*	.	H	α-helix	trans	-64.4	-31.5	175.8	-174.5	178.7	178.7	-177.2	0	112.1	H335 L337	H335-K339 WeakPolarHBondContact O-CB 3.47Å; H335-K339 PolarHBondContact O-N 3.49Å; L337-K339 VanDerWaalsContact C-N 3.31Å; L337-K339 PolarHBondContact O-N 3.35Å
340	R	92.9	Very high	94.6	Very high	141 Å²	141	41.8 Å²	41.8	53%	0.532	18%	0.18	S	C	.	.	H	α-helix	trans	-89.1	-29	178.6	-65.5	-178.7	69.6	154.7	0.1	112.9	T308 L337 L338	T308-R340 VanDerWaalsContact CG2-NH1 3.33Å; L337-R340 PolarHBondContact O-N 3.3Å; L337-R340 VanDerWaalsContact O-N 3.12Å; L338-R340 VanDerWaalsContact C-N 3.25Å; L338-R340 PolarHBondContact O-N 3.16Å
341	A	96.5	Very high	93	Very high	5 Å²	5	37.6 Å²	37.6	4%	0.041	17%	0.165	C	C	.	.			trans	-59.2	142.9	176.8	0	0	0	0	0	110.6	R218 I315 L337 L338 R343	R218-A341 PolarHBondContact NH1-O 3.39Å; I315-A341 HydrophobicContact CB-CB 4.46Å; I315-A341 HydrophobicContact CD1-CB 3.67Å; I315-A341 HydrophobicContact CG1-CB 3.78Å; L337-A341 PolarHBondContact O-N 2.9Å; L338-A341 PolarHBondContact O-N 3.14Å; A341-R343 WeakPolarHBondContact CB-O 3.08Å
342	R	96.7	Very high	91.4	Very high	146 Å²	146	38.1 Å²	38.1	55%	0.551	17%	0.174	S	C	*	.	S	Bend	trans	-76.6	-41.5	174.6	-175.9	170	162.1	131.4	-5.9	110.3	R218 E243 K313	R218-R342 PolarHBondContact NH1-O 3.14Å; E243-R342 VanDerWaalsContact CD-NE 3.28Å; E243-R342 IonicContact OE1-CZ 2.81Å; E243-R342 IonicContact OE1-NE 3.12Å; E243-R342 PolarHBondContact OE1-NE 3.45Å; E243-R342 IonicContact OE1-NH2 3.11Å; E243-R342 PolarHBondContact OE1-NH2 3.15Å; E243-R342 VanDerWaalsContact OE2-CD 3.27Å; E243-R342 WeakPolarHBondContact OE2-CD 3.07Å; E243-R342 IonicContact OE2-NE 3.17Å; E243-R342 PolarHBondContact OE2-NE 3.26Å; K313-R342 HydrophobicContact CB-CB 4.19Å; K313-R342 CarbonylContact O-C 3.52Å; K313-R342 WeakPolarHBondContact O-CA 3.44Å; K313-R342 PolarHBondContact O-N 3.14Å
343	R	97.8	Very high	89.6	Confident	23 Å²	23	36.7 Å²	36.7	9%	0.087	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	138.7	177.5	-44.1	-59	172.9	-162.3	8.7	110.3	N216 G217 Y240 E243 K313 I314 I315 A341	N216-R343 VanDerWaalsContact O-CD 3.23Å; N216-R343 WeakPolarHBondContact O-CD 3.16Å; N216-R343 PolarHBondContact O-NH1 3.47Å; G217-R343 CarbonylContact O-C 3.56Å; G217-R343 WeakPolarHBondContact O-CA 3.5Å; Y240-R343 HydrophobicContact CD2-CG 4.11Å; Y240-R343 HydrophobicContact CE2-CG 4.5Å; Y240-R343 HydrophobicContact CG-CG 4.14Å; E243-R343 IonicContact OE1-CZ 3.91Å; E243-R343 IonicContact OE1-NE 3.96Å; E243-R343 PolarHBondContact OE1-NE 3.44Å; E243-R343 IonicContact OE1-NH2 2.63Å; E243-R343 PolarHBondContact OE1-NH2 3.19Å; E243-R343 VanDerWaalsContact OE2-CG 3.29Å; E243-R343 WeakPolarHBondContact OE2-CG 3.19Å; E243-R343 IonicContact OE2-CZ 3.44Å; E243-R343 IonicContact OE2-NE 2.76Å; E243-R343 PolarHBondContact OE2-NE 3.04Å; E243-R343 IonicContact OE2-NH2 4Å; K313-R343 PolarHBondContact O-N 3.31Å; I314-R343 HydrophobicContact CB-CB 3.96Å; I314-R343 HydrophobicContact CB-CG 4.29Å; I314-R343 HydrophobicContact CD1-CB 4.1Å; I314-R343 HydrophobicContact CD1-CG 4.41Å; I314-R343 HydrophobicContact CG1-CB 3.82Å; I314-R343 HydrophobicContact CG1-CG 4.45Å; I315-R343 PolarHBondContact N-O 2.89Å; I315-R343 VanDerWaalsContact N-O 3.15Å; A341-R343 WeakPolarHBondContact CB-O 3.08Å
344	A	98	Very high	88.2	Confident	0 Å²	0	40.5 Å²	40.5	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.2	105.3	-177.6	0	0	0	0	0	109.3	G217 R218 V219 I315 L338	G217-A344 CarbonylContact O-C 3.52Å; G217-A344 PolarHBondContact O-N 3.07Å; R218-A344 CarbonylContact C-O 3.52Å; R218-A344 WeakPolarHBondContact CA-O 3.22Å; R218-A344 HydrophobicContact CG-CB 4.47Å; V219-A344 PolarHBondContact N-O 3.14Å; I315-A344 WeakPolarHBondContact O-CA 3.19Å; L338-A344 HydrophobicContact CD2-CB 3.82Å
345	L	98.4	Very high	87.7	Confident	1 Å²	1	44.5 Å²	44.5	1%	0.005	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	106.4	179.3	-55.2	179.3	0	0	0	108.6	I212 G217 V219 A233 A236 I315 I316 M317	I212-L345 HydrophobicContact CG2-CD2 3.6Å; G217-L345 WeakPolarHBondContact O-CD2 3.3Å; V219-L345 HydrophobicContact CB-CD2 4.46Å; A233-L345 HydrophobicContact CB-CD1 4.42Å; A236-L345 HydrophobicContact CB-CD1 3.86Å; I315-L345 PolarHBondContact O-N 3.15Å; I316-L345 CarbonylContact C-O 3.54Å; I316-L345 VanDerWaalsContact CA-O 3.3Å; I316-L345 WeakPolarHBondContact CA-O 3.21Å; I316-L345 HydrophobicContact CD1-CD1 4.49Å; I316-L345 HydrophobicContact CG1-CB 4.13Å; I316-L345 HydrophobicContact CG1-CD1 4.1Å; M317-L345 PolarHBondContact N-O 2.8Å
346	L	97.9	Very high	87.3	Confident	1 Å²	1	42.5 Å²	42.5	1%	0.005	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	126.1	175.7	-59.4	-169	0	0	0	109.3	V219 L220 L221 M317 C320 I323 L338 Q362 C365 V366	V219-L346 PolarHBondContact O-N 3.04Å; L220-L346 CarbonylContact C-O 3.51Å; L220-L346 WeakPolarHBondContact CA-O 3.34Å; L220-L346 HydrophobicContact CD1-CB 3.71Å; L221-L346 PolarHBondContact N-O 3.37Å; M317-L346 HydrophobicContact CB-CD2 3.56Å; M317-L346 HydrophobicContact CG-CD2 3.58Å; M317-L346 HydrophobicContact SD-CD2 3.76Å; C320-L346 HydrophobicContact CB-CB 3.93Å; C320-L346 HydrophobicContact CB-CD1 4.47Å; C320-L346 HydrophobicContact CB-CD2 4.34Å; C320-L346 HydrophobicContact CB-CG 4.48Å; I323-L346 HydrophobicContact CD1-CD1 4.47Å; L338-L346 HydrophobicContact CD1-CD2 4.1Å; L338-L346 HydrophobicContact CD2-CD2 4.35Å; L346-Q362 HydrophobicContact CD1-CB 3.88Å; L346-Q362 HydrophobicContact CD1-CG 4.26Å; L346-C365 HydrophobicContact CD1-CB 4.28Å; L346-V366 HydrophobicContact CB-CG2 4.32Å; L346-V366 HydrophobicContact CD1-CG2 3.52Å; L346-V366 HydrophobicContact CG-CG2 3.65Å
347	L	96.8	Very high	87	Confident	0 Å²	0	39.9 Å²	39.9	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	130.3	-177.4	-37.8	-178.5	0	0	0	109.8	L221 A233 W258 I316 M317 D318 E319 C320	L221-L347 HydrophobicContact CB-CD2 3.77Å; L221-L347 HydrophobicContact CD1-CD2 3.59Å; L221-L347 HydrophobicContact CG-CD2 4.07Å; L221-L347 WeakPolarHBondContact O-CA 3.31Å; A233-L347 HydrophobicContact CB-CD1 3.74Å; A233-L347 HydrophobicContact CB-CD2 3.78Å; A233-L347 HydrophobicContact CB-CG 4.38Å; W258-L347 HydrophobicContact CH2-CD1 3.9Å; W258-L347 HydrophobicContact CZ2-CD1 3.78Å; I316-L347 HydrophobicContact CG2-CD1 3.81Å; I316-L347 HydrophobicContact CG2-CG 4.07Å; M317-L347 PolarHBondContact O-N 3.4Å; D318-L347 HydrophobicContact CB-CD1 4.45Å; E319-L347 WeakPolarHBondContact CA-O 3.25Å; E319-L347 PolarHBondContact N-O 3.49Å; C320-L347 PolarHBondContact N-O 2.9Å
348	S	91	Very high	86.6	Confident	0 Å²	0	40.9 Å²	40.9	0%	0	20%	0.202	C	C	.	.			trans	-163.2	134.2	167.2	-174.8	0	0	0	0	111.4	L221 A222 T350	L221-S348 PolarHBondContact O-N 3.46Å; A222-S348 CarbonylContact C-O 3.43Å; A222-S348 WeakPolarHBondContact CA-O 3.43Å; S348-T350 PolarHBondContact O-N 3.29Å; S348-T350 PolarHBondContact OG-N 3.06Å; S348-T350 VanDerWaalsContact OG-N 3.16Å; S348-T350 PolarHBondContact OG-O 3.33Å
349	G	83.2	Confident	86.3	Confident	8 Å²	8	41.7 Å²	41.7	8%	0.082	21%	0.206	C	C	.	.	S	Bend	trans	-70.9	-14.5	169.8	0	0	0	0	0	113.8	D223	D223-G349 WeakPolarHBondContact O-CA 3.42Å
350	T	79.7	Confident	86.3	Confident	43 Å²	43	36.5 Å²	36.5	26%	0.264	18%	0.183	S	C	.	.			trans	-139.9	64.8	-173.7	48.3	0	0	0	0	110	S348 A352	S348-T350 PolarHBondContact O-N 3.29Å; S348-T350 PolarHBondContact OG-N 3.06Å; S348-T350 VanDerWaalsContact OG-N 3.16Å; S348-T350 PolarHBondContact OG-O 3.33Å; T350-A352 VanDerWaalsContact C-N 3.27Å; T350-A352 PolarHBondContact O-N 3.5Å
351	P	60.9	Low	86.3	Confident	3 Å²	3	29.8 Å²	29.8	2%	0.019	16%	0.157	C	C	.	.	S	Bend	trans	-60.5	-36.1	-171.7	27.2	-38.5	0	0	0	113.1	L220 A222 L359 Q362	L220-P351 HydrophobicContact CD1-CB 4.5Å; L220-P351 HydrophobicContact CD2-CB 4.15Å; A222-P351 HydrophobicContact CB-CB 4.32Å; A222-P351 HydrophobicContact CB-CG 3.73Å; P351-L359 HydrophobicContact CB-CD2 3.94Å; P351-L359 HydrophobicContact CG-CD2 4.5Å; P351-Q362 PolarHBondContact O-NE2 2.86Å; P351-Q362 PolarHBondContact O-OE1 2.8Å
352	A	62.9	Low	86.2	Confident	36 Å²	36	29.6 Å²	29.6	30%	0.298	16%	0.155	S	C	.	.			trans	-112.5	126.3	169.3	0	0	0	0	0	109.5	T350 L359	T350-A352 VanDerWaalsContact C-N 3.27Å; T350-A352 PolarHBondContact O-N 3.5Å; A352-L359 HydrophobicContact CB-CD1 3.99Å; A352-L359 HydrophobicContact CB-CD2 3.72Å; A352-L359 HydrophobicContact CB-CG 3.71Å
353	L	57.2	Low	86	Confident	74 Å²	74	22.7 Å²	22.7	39%	0.387	13%	0.13	S	C	.	.	S	Bend	trans	-88.1	-37.4	175.4	-71.8	164.2	0	0	0	111.3	K324 E358	K324-L353 HydrophobicContact CD-CD1 4.08Å; L353-E358 PolarHBondContact N-OE2 2.6Å
354	S	68.9	Low	85.8	Confident	81 Å²	81	22 Å²	22	57%	0.566	13%	0.128	S	C	*	.	S	Bend	trans	-148.2	-31.8	-173.9	69.2	0	0	0	0	116	E358	S354-E358 PolarHBondContact N-OE2 2.98Å; S354-E358 PolarHBondContact OG-OE1 2.96Å; S354-E358 PolarHBondContact OG-OE2 3Å
355	K	84.7	Confident	85.6	Confident	84 Å²	84	22 Å²	22	37%	0.365	13%	0.129	S	C	.	.			trans	-139.6	144.9	-167.3	-70.8	164.3	-173.8	153.3	0	112.7	S357 E358	K355-S357 PolarHBondContact O-N 2.9Å; K355-S357 VanDerWaalsContact O-N 3.17Å; K355-E358 HydrophobicContact CB-CG 4.32Å; K355-E358 PolarHBondContact N-OE2 2.92Å; K355-E358 WeakPolarHBondContact O-CB 3.28Å; K355-E358 PolarHBondContact O-N 2.91Å
356	P	87.8	Confident	85.5	Confident	11 Å²	11	22.1 Å²	22.1	7%	0.071	13%	0.129	C	C	.	.	H	α-helix	trans	-57.1	-32.3	174.4	-26.1	36.5	0	0	0	113.3	E358 L359 F377 A400 L403 L406	P356-E358 PolarHBondContact O-N 3.33Å; P356-E358 VanDerWaalsContact O-N 3.15Å; P356-L359 WeakPolarHBondContact O-CB 3.32Å; P356-L359 PolarHBondContact O-N 2.91Å; P356-F377 HydrophobicContact CB-CE1 4.43Å; P356-F377 HydrophobicContact CB-CZ 4.28Å; P356-F377 VanDerWaalsContact O-CE1 3.27Å; P356-F377 WeakPolarHBondContact O-CE1 3.34Å; P356-F377 VanDerWaalsContact O-CZ 3.29Å; P356-F377 WeakPolarHBondContact O-CZ 3.4Å; P356-A400 HydrophobicContact CG-CB 4.05Å; P356-L403 HydrophobicContact CB-CD2 4.46Å; P356-L403 HydrophobicContact CG-CD2 3.46Å; P356-L403 VanDerWaalsContact CG-CD2 3.46Å; P356-L406 HydrophobicContact CB-CD2 4.2Å
357	S	88.8	Confident	85.2	Confident	27 Å²	27	23 Å²	23	19%	0.189	14%	0.137	C	C	.	.	H	α-helix	trans	-57.4	-28.9	177.2	60.7	0	0	0	0	113.6	K355 L359	K355-S357 PolarHBondContact O-N 2.9Å; K355-S357 VanDerWaalsContact O-N 3.17Å; S357-L359 VanDerWaalsContact C-N 3.32Å
358	E	88.6	Confident	84.8	Confident	31 Å²	31	25.4 Å²	25.4	15%	0.145	15%	0.152	C	C	.	.	H	α-helix	trans	-73.6	-25.5	178.8	-63	176.3	154	0	0	112	K324 L353 S354 K355 P356 T361	K324-E358 HydrophobicContact CB-CB 4.19Å; L353-E358 PolarHBondContact N-OE2 2.6Å; S354-E358 PolarHBondContact N-OE2 2.98Å; S354-E358 PolarHBondContact OG-OE1 2.96Å; S354-E358 PolarHBondContact OG-OE2 3Å; K355-E358 HydrophobicContact CB-CG 4.32Å; K355-E358 PolarHBondContact N-OE2 2.92Å; K355-E358 WeakPolarHBondContact O-CB 3.28Å; K355-E358 PolarHBondContact O-N 2.91Å; P356-E358 PolarHBondContact O-N 3.33Å; P356-E358 VanDerWaalsContact O-N 3.15Å; E358-T361 PolarHBondContact O-OG1 3.37Å
359	L	90.4	Very high	84.7	Confident	18 Å²	18	32.2 Å²	32.2	9%	0.094	19%	0.189	C	C	.	.	H	α-helix	trans	-74.8	-28.8	176.5	-69.9	171.7	0	0	0	112.3	P351 A352 P356 S357 T361 Q362 I363 L406 L410	P351-L359 HydrophobicContact CB-CD2 3.94Å; P351-L359 HydrophobicContact CG-CD2 4.5Å; A352-L359 HydrophobicContact CB-CD1 3.99Å; A352-L359 HydrophobicContact CB-CD2 3.72Å; A352-L359 HydrophobicContact CB-CG 3.71Å; P356-L359 WeakPolarHBondContact O-CB 3.32Å; P356-L359 PolarHBondContact O-N 2.91Å; S357-L359 VanDerWaalsContact C-N 3.32Å; L359-T361 PolarHBondContact O-N 3.43Å; L359-Q362 PolarHBondContact O-N 2.87Å; L359-Q362 VanDerWaalsContact O-N 3.14Å; L359-I363 HydrophobicContact CB-CD1 3.81Å; L359-I363 HydrophobicContact CB-CG1 4.44Å; L359-I363 VanDerWaalsContact O-CG1 3.24Å; L359-I363 WeakPolarHBondContact O-CG1 3.44Å; L359-I363 PolarHBondContact O-N 2.92Å; L359-L406 HydrophobicContact CD1-CD2 4.45Å; L359-L410 HydrophobicContact CD1-CD1 4.33Å
360	Y	92.5	Very high	84.9	Confident	33 Å²	33	32.4 Å²	32.4	13%	0.129	19%	0.188	C	C	.	.	H	α-helix	trans	-55.4	-39.8	-173.6	177.9	-99.4	0	0	0	112.5	I363 S364 F371 S373 F374 F377	Y360-I363 PolarHBondContact O-N 3.33Å; Y360-S364 VanDerWaalsContact O-CB 3.27Å; Y360-S364 WeakPolarHBondContact O-CB 3.45Å; Y360-S364 PolarHBondContact O-N 2.8Å; Y360-S364 PolarHBondContact O-OG 3.49Å; Y360-F371 HydrophobicContact CE2-CB 4.31Å; Y360-S373 VanDerWaalsContact OH-C 3.29Å; Y360-F374 HydrophobicContact CD1-CB 4.15Å; Y360-F374 AromaticContact CD1-CD2 3.5Å; Y360-F374 HydrophobicContact CD1-CD2 3.5Å; Y360-F374 VanDerWaalsContact CD1-CD2 3.5Å; Y360-F374 HydrophobicContact CD1-CE2 4.39Å; Y360-F374 HydrophobicContact CD1-CG 4.28Å; Y360-F374 HydrophobicContact CD2-CD2 4.15Å; Y360-F374 HydrophobicContact CE1-CB 3.67Å; Y360-F374 AromaticContact CE1-CD2 3.95Å; Y360-F374 HydrophobicContact CE1-CD2 3.95Å; Y360-F374 HydrophobicContact CE1-CG 4.29Å; Y360-F374 HydrophobicContact CE2-CB 4.35Å; Y360-F374 AromaticContact CG-CD2 3.6Å; Y360-F374 HydrophobicContact CG-CD2 3.6Å; Y360-F374 HydrophobicContact CG-CE2 4.3Å; Y360-F374 VanDerWaalsContact CZ-CA 3.49Å; Y360-F374 PolarHBondContact OH-N 2.68Å; Y360-F377 HydrophobicContact CD2-CB 3.67Å; Y360-F377 AromaticContact CD2-CD1 3.8Å; Y360-F377 HydrophobicContact CD2-CD1 3.8Å; Y360-F377 HydrophobicContact CD2-CD2 4.16Å; Y360-F377 AromaticContact CD2-CG 3.6Å; Y360-F377 HydrophobicContact CD2-CG 3.6Å; Y360-F377 HydrophobicContact CE2-CB 3.96Å; Y360-F377 HydrophobicContact CE2-CG 4.37Å; Y360-F377 HydrophobicContact CG-CD1 4.15Å; Y360-F377 HydrophobicContact CG-CG 4.39Å
361	T	93.1	Very high	85.5	Confident	1 Å²	1	30.7 Å²	30.7	1%	0.006	18%	0.177	C	C	.	.	H	α-helix	trans	-61.8	-48.3	-179.5	56.5	0	0	0	0	111.2	I323 K324 F326 Y331 E358 L359 S364 C365	I323-T361 WeakPolarHBondContact O-CB 3.3Å; I323-T361 PolarHBondContact O-OG1 2.95Å; K324-T361 WeakPolarHBondContact CA-OG1 3.45Å; F326-T361 HydrophobicContact CB-CG2 4.12Å; Y331-T361 VanDerWaalsContact CD2-CB 3.49Å; Y331-T361 HydrophobicContact CD2-CG2 3.65Å; Y331-T361 HydrophobicContact CE2-CG2 3.57Å; Y331-T361 HydrophobicContact CG-CG2 4.24Å; E358-T361 PolarHBondContact O-OG1 3.37Å; L359-T361 PolarHBondContact O-N 3.43Å; T361-S364 PolarHBondContact O-N 3.12Å; T361-S364 PolarHBondContact O-OG 2.71Å; T361-C365 PolarHBondContact O-N 2.76Å; T361-C365 VanDerWaalsContact O-N 3.12Å; T361-C365 PolarHBondContact O-SG 2.9Å
362	Q	94	Very high	86.8	Confident	0 Å²	0	40 Å²	40	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-62.4	-45.8	176.5	-63.6	165	13.2	0	0	111.4	C320 I323 L346 P351 L359 S364 C365 V366	C320-Q362 PolarHBondContact O-NE2 2.78Å; I323-Q362 HydrophobicContact CG1-CG 4.5Å; L346-Q362 HydrophobicContact CD1-CB 3.88Å; L346-Q362 HydrophobicContact CD1-CG 4.26Å; P351-Q362 PolarHBondContact O-NE2 2.86Å; P351-Q362 PolarHBondContact O-OE1 2.8Å; L359-Q362 PolarHBondContact O-N 2.87Å; L359-Q362 VanDerWaalsContact O-N 3.14Å; Q362-S364 VanDerWaalsContact C-N 3.34Å; Q362-S364 PolarHBondContact O-N 2.84Å; Q362-C365 PolarHBondContact O-N 2.82Å; Q362-V366 WeakPolarHBondContact O-CG2 3.5Å; Q362-V366 PolarHBondContact O-N 3.09Å
363	I	93.8	Very high	88.1	Confident	1 Å²	1	40.7 Å²	40.7	1%	0.005	21%	0.214	C	C	.	.	H	α-helix	trans	-58.1	-47.3	177.6	-66.8	165.2	0	0	0	110.7	L359 Y360 C365 V366 A367 I370 F371 F377 L410 I414	L359-I363 HydrophobicContact CB-CD1 3.81Å; L359-I363 HydrophobicContact CB-CG1 4.44Å; L359-I363 VanDerWaalsContact O-CG1 3.24Å; L359-I363 WeakPolarHBondContact O-CG1 3.44Å; L359-I363 PolarHBondContact O-N 2.92Å; Y360-I363 PolarHBondContact O-N 3.33Å; I363-C365 VanDerWaalsContact C-N 3.25Å; I363-C365 PolarHBondContact O-N 2.79Å; I363-V366 PolarHBondContact O-N 3Å; I363-A367 CarbonylContact O-C 3.53Å; I363-A367 PolarHBondContact O-N 2.83Å; I363-I370 HydrophobicContact CG2-CG2 3.29Å; I363-F371 HydrophobicContact CG2-CD2 3.95Å; I363-F371 HydrophobicContact CG2-CE2 4Å; I363-F377 HydrophobicContact CD1-CE2 3.9Å; I363-F377 HydrophobicContact CD1-CZ 4.28Å; I363-L410 HydrophobicContact CD1-CD1 4.17Å; I363-L410 HydrophobicContact CD1-CD2 3.73Å; I363-L410 HydrophobicContact CG1-CD2 3.77Å; I363-I414 HydrophobicContact CB-CD1 4.42Å; I363-I414 HydrophobicContact CG1-CD1 4.29Å; I363-I414 HydrophobicContact CG2-CD1 4.11Å
364	S	93.1	Very high	89.7	Confident	9 Å²	9	39.7 Å²	39.7	6%	0.063	21%	0.206	C	C	.	.	H	α-helix	trans	-65.5	-29.1	-179	74.2	0	0	0	0	112.9	Y331 Y360 T361 Q362 P368	Y331-S364 PolarHBondContact OH-OG 2.95Å; Y360-S364 VanDerWaalsContact O-CB 3.27Å; Y360-S364 WeakPolarHBondContact O-CB 3.45Å; Y360-S364 PolarHBondContact O-N 2.8Å; Y360-S364 PolarHBondContact O-OG 3.49Å; T361-S364 PolarHBondContact O-N 3.12Å; T361-S364 PolarHBondContact O-OG 2.71Å; Q362-S364 VanDerWaalsContact C-N 3.34Å; Q362-S364 PolarHBondContact O-N 2.84Å; S364-P368 WeakPolarHBondContact O-CA 3.23Å; S364-P368 WeakPolarHBondContact O-CG 3.47Å
365	C	94.4	Very high	90.8	Very high	1 Å²	1	41.7 Å²	41.7	1%	0.007	21%	0.205	C	C	.	.	H	α-helix	trans	-75.3	-41.6	174.6	-70.7	0	0	0	0	111.9	R218 L338 L346 T361 Q362 I363	R218-C365 PolarHBondContact NH2-O 2.91Å; L338-C365 HydrophobicContact CB-CB 4.19Å; L338-C365 HydrophobicContact CD1-CB 3.54Å; L338-C365 HydrophobicContact CG-CB 4.49Å; L346-C365 HydrophobicContact CD1-CB 4.28Å; T361-C365 PolarHBondContact O-N 2.76Å; T361-C365 VanDerWaalsContact O-N 3.12Å; T361-C365 PolarHBondContact O-SG 2.9Å; Q362-C365 PolarHBondContact O-N 2.82Å; I363-C365 VanDerWaalsContact C-N 3.25Å; I363-C365 PolarHBondContact O-N 2.79Å
366	V	95	Very high	91.1	Very high	2 Å²	2	39.6 Å²	39.6	1%	0.012	20%	0.197	C	C	.	.	H	α-helix	trans	-76.5	-45.6	-179	176.6	0	0	0	0	111.4	R218 L346 Q362 I363 I414	R218-V366 HydrophobicContact CB-CG1 4.09Å; R218-V366 PolarHBondContact NE-O 2.96Å; R218-V366 VanDerWaalsContact O-CG1 3.3Å; R218-V366 WeakPolarHBondContact O-CG1 3.3Å; L346-V366 HydrophobicContact CB-CG2 4.32Å; L346-V366 HydrophobicContact CD1-CG2 3.52Å; L346-V366 HydrophobicContact CG-CG2 3.65Å; Q362-V366 WeakPolarHBondContact O-CG2 3.5Å; Q362-V366 PolarHBondContact O-N 3.09Å; I363-V366 PolarHBondContact O-N 3Å; V366-I414 HydrophobicContact CB-CD1 4.33Å; V366-I414 HydrophobicContact CG1-CB 3.93Å; V366-I414 HydrophobicContact CG1-CD1 4.27Å; V366-I414 HydrophobicContact CG1-CG2 4.13Å
367	A	92.7	Very high	91.4	Very high	21 Å²	21	39.1 Å²	39.1	17%	0.174	19%	0.193	C	C	.	.			trans	-135.6	83.3	-179.4	0	0	0	0	0	111.2	I363 N369 I370 I414	I363-A367 CarbonylContact O-C 3.53Å; I363-A367 PolarHBondContact O-N 2.83Å; A367-N369 PolarHBondContact O-N 2.82Å; A367-I370 HydrophobicContact CB-CB 3.99Å; A367-I370 HydrophobicContact CB-CG2 4.11Å; A367-I370 WeakPolarHBondContact O-CG2 3.46Å; A367-I370 PolarHBondContact O-N 3.15Å; A367-I414 HydrophobicContact CB-CD1 4.46Å; A367-I414 HydrophobicContact CB-CG2 3.79Å
368	P	88.6	Confident	91.6	Very high	50 Å²	50	37.8 Å²	37.8	33%	0.325	18%	0.184	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.9	-27	-178.6	-24.3	30.9	0	0	0	114.6	S364	S364-P368 WeakPolarHBondContact O-CA 3.23Å; S364-P368 WeakPolarHBondContact O-CG 3.47Å
369	N	87.7	Confident	91.7	Very high	142 Å²	142	41.3 Å²	41.3	76%	0.759	20%	0.201	S	C	*	.	T	Hydrogen-bonded Turn	trans	-97	7.2	-176	-60.9	-28.4	0	0	0	113.8	A367	A367-N369 PolarHBondContact O-N 2.82Å
370	I	89.1	Confident	91.8	Very high	12 Å²	12	42.7 Å²	42.7	6%	0.062	21%	0.205	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74	-46.8	177.5	-161.5	172	0	0	0	110.4	V172 I363 A367 I414	V172-I370 HydrophobicContact CB-CG1 4.49Å; V172-I370 HydrophobicContact CG1-CD1 4.15Å; V172-I370 HydrophobicContact CG1-CG1 3.7Å; V172-I370 HydrophobicContact CG2-CG1 3.88Å; V172-I370 WeakPolarHBondContact CG2-O 3.47Å; I363-I370 HydrophobicContact CG2-CG2 3.29Å; A367-I370 HydrophobicContact CB-CB 3.99Å; A367-I370 HydrophobicContact CB-CG2 4.11Å; A367-I370 WeakPolarHBondContact O-CG2 3.46Å; A367-I370 PolarHBondContact O-N 3.15Å; I370-I414 HydrophobicContact CD1-CD1 4.47Å
371	F	90.5	Very high	91.9	Very high	7 Å²	7	41.2 Å²	41.2	3%	0.031	20%	0.199	C	C	.	.	S	Bend	trans	-119.8	135.1	171.5	-60	-67.9	0	0	0	108.9	V172 Y360 I363 S373 F377 Y381 L406	V172-F371 HydrophobicContact CG2-CD1 4.38Å; V172-F371 HydrophobicContact CG2-CE1 4.18Å; Y360-F371 HydrophobicContact CE2-CB 4.31Å; I363-F371 HydrophobicContact CG2-CD2 3.95Å; I363-F371 HydrophobicContact CG2-CE2 4Å; F371-S373 VanDerWaalsContact C-N 3.27Å; F371-S373 PolarHBondContact O-N 2.81Å; F371-F377 HydrophobicContact CB-CB 4.38Å; F371-F377 HydrophobicContact CD1-CD2 4.44Å; F371-F377 HydrophobicContact CD2-CB 4.34Å; F371-F377 AromaticContact CD2-CD2 3.61Å; F371-F377 HydrophobicContact CD2-CD2 3.61Å; F371-F377 HydrophobicContact CD2-CE2 4.39Å; F371-F377 HydrophobicContact CD2-CG 4.38Å; F371-F377 HydrophobicContact CE1-CD2 4.3Å; F371-F377 AromaticContact CE2-CD2 3.45Å; F371-F377 HydrophobicContact CE2-CD2 3.45Å; F371-F377 VanDerWaalsContact CE2-CD2 3.45Å; F371-F377 AromaticContact CE2-CE2 3.89Å; F371-F377 HydrophobicContact CE2-CE2 3.89Å; F371-F377 HydrophobicContact CG-CB 4.16Å; F371-F377 HydrophobicContact CG-CD2 4.13Å; F371-F377 AromaticContact CZ-CD2 3.82Å; F371-F377 HydrophobicContact CZ-CD2 3.82Å; F371-F377 HydrophobicContact CZ-CE2 4.29Å; F371-Y381 AromaticContact CE1-CE2 3.68Å; F371-Y381 HydrophobicContact CE1-CE2 3.68Å; F371-Y381 HydrophobicContact CZ-CD2 4.48Å; F371-Y381 AromaticContact CZ-CE2 3.71Å; F371-Y381 HydrophobicContact CZ-CE2 3.71Å; F371-L406 HydrophobicContact CZ-CD1 4.36Å
372	R	88.1	Confident	91.9	Very high	200 Å²	200	41.1 Å²	41.1	76%	0.755	20%	0.198	S	C	*	.	S	Bend	trans	-66.9	-31.9	-177.1	-59	-177.4	-177	99.2	-10.6	112.3	E376	R372-E376 WeakPolarHBondContact CB-OE2 3.35Å; R372-E376 WeakPolarHBondContact CG-OE2 3.45Å; R372-E376 PolarHBondContact N-OE2 2.66Å; R372-E376 IonicContact NH1-OE1 2.79Å; R372-E376 IonicContact NH1-OE2 3.06Å
373	S	90.6	Very high	91.8	Very high	49 Å²	49	44.3 Å²	44.3	34%	0.343	22%	0.215	S	C	.	.			trans	-156	163.7	-179.1	67	0	0	0	0	111.7	Y360 F371 K375 E376 F377	Y360-S373 VanDerWaalsContact OH-C 3.29Å; F371-S373 VanDerWaalsContact C-N 3.27Å; F371-S373 PolarHBondContact O-N 2.81Å; S373-K375 PolarHBondContact O-N 3.13Å; S373-K375 PolarHBondContact OG-N 3.11Å; S373-E376 PolarHBondContact O-N 3.03Å; S373-E376 PolarHBondContact OG-N 2.95Å; S373-F377 PolarHBondContact O-N 3.26Å
374	F	91.5	Very high	91.7	Very high	53 Å²	53	45.8 Å²	45.8	23%	0.232	23%	0.225	C	C	.	.	H	α-helix	trans	-59.5	-31.5	170.4	177.5	-103.9	0	0	0	111.7	Y360 F377 G378 Y397	Y360-F374 HydrophobicContact CD1-CB 4.15Å; Y360-F374 AromaticContact CD1-CD2 3.5Å; Y360-F374 HydrophobicContact CD1-CD2 3.5Å; Y360-F374 VanDerWaalsContact CD1-CD2 3.5Å; Y360-F374 HydrophobicContact CD1-CE2 4.39Å; Y360-F374 HydrophobicContact CD1-CG 4.28Å; Y360-F374 HydrophobicContact CD2-CD2 4.15Å; Y360-F374 HydrophobicContact CE1-CB 3.67Å; Y360-F374 AromaticContact CE1-CD2 3.95Å; Y360-F374 HydrophobicContact CE1-CD2 3.95Å; Y360-F374 HydrophobicContact CE1-CG 4.29Å; Y360-F374 HydrophobicContact CE2-CB 4.35Å; Y360-F374 AromaticContact CG-CD2 3.6Å; Y360-F374 HydrophobicContact CG-CD2 3.6Å; Y360-F374 HydrophobicContact CG-CE2 4.3Å; Y360-F374 VanDerWaalsContact CZ-CA 3.49Å; Y360-F374 PolarHBondContact OH-N 2.68Å; F374-F377 HydrophobicContact CE2-CD1 4.43Å; F374-F377 PolarHBondContact O-N 2.65Å; F374-G378 WeakPolarHBondContact O-CA 3.43Å; F374-G378 PolarHBondContact O-N 2.79Å; F374-Y397 HydrophobicContact CE1-CD1 4.13Å; F374-Y397 AromaticContact CE1-CD2 3.66Å; F374-Y397 HydrophobicContact CE1-CD2 3.66Å; F374-Y397 HydrophobicContact CE1-CE1 4.37Å; F374-Y397 AromaticContact CE1-CE2 3.95Å; F374-Y397 HydrophobicContact CE1-CE2 3.95Å; F374-Y397 AromaticContact CE1-CG 3.76Å; F374-Y397 HydrophobicContact CE1-CG 3.76Å; F374-Y397 HydrophobicContact CZ-CD1 4.37Å; F374-Y397 HydrophobicContact CZ-CD2 4.23Å; F374-Y397 AromaticContact CZ-CG 3.95Å; F374-Y397 HydrophobicContact CZ-CG 3.95Å
375	K	91.8	Very high	91.6	Very high	123 Å²	123	52.9 Å²	52.9	54%	0.535	25%	0.25	S	S	.	.	H	α-helix	trans	-62.1	-47.8	178.8	-176.3	-179.6	172.8	-174.2	0	111.2	S373 F377 G378 E379	S373-K375 PolarHBondContact O-N 3.13Å; S373-K375 PolarHBondContact OG-N 3.11Å; K375-F377 PolarHBondContact O-N 2.76Å; K375-G378 PolarHBondContact O-N 2.86Å; K375-E379 WeakPolarHBondContact CE-OE1 3.42Å; K375-E379 HydrophobicContact CG-CG 4.28Å; K375-E379 IonicContact NZ-OE1 3.58Å; K375-E379 WeakPolarHBondContact O-CB 3.46Å; K375-E379 VanDerWaalsContact O-CG 3.31Å; K375-E379 WeakPolarHBondContact O-CG 3.33Å; K375-E379 PolarHBondContact O-N 2.78Å
376	E	91.6	Very high	91.4	Very high	41 Å²	41	58.8 Å²	58.8	19%	0.192	28%	0.278	C	S	.	.	H	α-helix	trans	-58.4	-47.1	176.7	177.3	-179.3	-170.5	0	0	111.6	R372 S373 R380	R372-E376 WeakPolarHBondContact CB-OE2 3.35Å; R372-E376 WeakPolarHBondContact CG-OE2 3.45Å; R372-E376 PolarHBondContact N-OE2 2.66Å; R372-E376 IonicContact NH1-OE1 2.79Å; R372-E376 IonicContact NH1-OE2 3.06Å; S373-E376 PolarHBondContact O-N 3.03Å; S373-E376 PolarHBondContact OG-N 2.95Å; E376-R380 PolarHBondContact O-N 3.34Å
377	F	93	Very high	91.2	Very high	0 Å²	0	61.2 Å²	61.2	0%	0	29%	0.293	C	S	.	.	H	α-helix	trans	-64.2	-45.6	176.8	177.6	-93.7	0	0	0	112	P356 Y360 I363 F371 S373 F374 K375 R380 Y381 L406	P356-F377 HydrophobicContact CB-CE1 4.43Å; P356-F377 HydrophobicContact CB-CZ 4.28Å; P356-F377 VanDerWaalsContact O-CE1 3.27Å; P356-F377 WeakPolarHBondContact O-CE1 3.34Å; P356-F377 VanDerWaalsContact O-CZ 3.29Å; P356-F377 WeakPolarHBondContact O-CZ 3.4Å; Y360-F377 HydrophobicContact CD2-CB 3.67Å; Y360-F377 AromaticContact CD2-CD1 3.8Å; Y360-F377 HydrophobicContact CD2-CD1 3.8Å; Y360-F377 HydrophobicContact CD2-CD2 4.16Å; Y360-F377 AromaticContact CD2-CG 3.6Å; Y360-F377 HydrophobicContact CD2-CG 3.6Å; Y360-F377 HydrophobicContact CE2-CB 3.96Å; Y360-F377 HydrophobicContact CE2-CG 4.37Å; Y360-F377 HydrophobicContact CG-CD1 4.15Å; Y360-F377 HydrophobicContact CG-CG 4.39Å; I363-F377 HydrophobicContact CD1-CE2 3.9Å; I363-F377 HydrophobicContact CD1-CZ 4.28Å; F371-F377 HydrophobicContact CB-CB 4.38Å; F371-F377 HydrophobicContact CD1-CD2 4.44Å; F371-F377 HydrophobicContact CD2-CB 4.34Å; F371-F377 AromaticContact CD2-CD2 3.61Å; F371-F377 HydrophobicContact CD2-CD2 3.61Å; F371-F377 HydrophobicContact CD2-CE2 4.39Å; F371-F377 HydrophobicContact CD2-CG 4.38Å; F371-F377 HydrophobicContact CE1-CD2 4.3Å; F371-F377 AromaticContact CE2-CD2 3.45Å; F371-F377 HydrophobicContact CE2-CD2 3.45Å; F371-F377 VanDerWaalsContact CE2-CD2 3.45Å; F371-F377 AromaticContact CE2-CE2 3.89Å; F371-F377 HydrophobicContact CE2-CE2 3.89Å; F371-F377 HydrophobicContact CG-CB 4.16Å; F371-F377 HydrophobicContact CG-CD2 4.13Å; F371-F377 AromaticContact CZ-CD2 3.82Å; F371-F377 HydrophobicContact CZ-CD2 3.82Å; F371-F377 HydrophobicContact CZ-CE2 4.29Å; S373-F377 PolarHBondContact O-N 3.26Å; F374-F377 HydrophobicContact CE2-CD1 4.43Å; F374-F377 PolarHBondContact O-N 2.65Å; K375-F377 PolarHBondContact O-N 2.76Å; F377-R380 PolarHBondContact O-N 3.24Å; F377-Y381 AromaticContact CD2-CD2 3.56Å; F377-Y381 HydrophobicContact CD2-CD2 3.56Å; F377-Y381 HydrophobicContact CD2-CE2 4.12Å; F377-Y381 AromaticContact CE2-CD2 3.7Å; F377-Y381 HydrophobicContact CE2-CD2 3.7Å; F377-Y381 HydrophobicContact CE2-CE2 4.39Å; F377-Y381 HydrophobicContact CE2-CG 4.35Å; F377-Y381 HydrophobicContact CG-CD2 4.18Å; F377-Y381 HydrophobicContact CZ-CD2 4.39Å; F377-Y381 WeakPolarHBondContact O-CD2 3.48Å; F377-Y381 PolarHBondContact O-N 2.79Å; F377-L406 HydrophobicContact CE2-CD1 3.82Å; F377-L406 HydrophobicContact CE2-CD2 4.09Å; F377-L406 HydrophobicContact CZ-CD2 4.04Å
378	G	92.9	Very high	91	Very high	0 Å²	0	70.2 Å²	70.2	0%	0	32%	0.322	C	S	.	.	H	α-helix	trans	-65.9	-43.2	-175.3	0	0	0	0	0	112.6	F374 K375 R380 C382	F374-G378 WeakPolarHBondContact O-CA 3.43Å; F374-G378 PolarHBondContact O-N 2.79Å; K375-G378 PolarHBondContact O-N 2.86Å; G378-R380 VanDerWaalsContact C-N 3.32Å; G378-R380 PolarHBondContact O-N 3.23Å; G378-C382 WeakPolarHBondContact O-CA 3.48Å; G378-C382 VanDerWaalsContact O-CB 3.28Å; G378-C382 WeakPolarHBondContact O-CB 3.42Å; G378-C382 PolarHBondContact O-N 3.16Å
379	E	92.4	Very high	90.7	Very high	105 Å²	105	72.8 Å²	72.8	49%	0.491	33%	0.332	S	S	.	.	H	α-helix	trans	-61.8	-39.2	177.2	-75	173.5	166.7	0	0	112	K375 P384	K375-E379 WeakPolarHBondContact CE-OE1 3.42Å; K375-E379 HydrophobicContact CG-CG 4.28Å; K375-E379 IonicContact NZ-OE1 3.58Å; K375-E379 WeakPolarHBondContact O-CB 3.46Å; K375-E379 VanDerWaalsContact O-CG 3.31Å; K375-E379 WeakPolarHBondContact O-CG 3.33Å; K375-E379 PolarHBondContact O-N 2.78Å; E379-P384 HydrophobicContact CG-CG 4.46Å
380	R	91.9	Very high	90.5	Very high	47 Å²	47	70 Å²	70	18%	0.177	34%	0.337	C	S	.	.	H	α-helix	trans	-85	-37.8	-176.6	-166.8	163.8	-176.2	111.1	12.3	114.2	C121 G168 E376 F377 G378 S401 N402 E405	C121-R380 PolarHBondContact O-NH2 2.99Å; G168-R380 PolarHBondContact O-NH1 3.36Å; E376-R380 PolarHBondContact O-N 3.34Å; F377-R380 PolarHBondContact O-N 3.24Å; G378-R380 VanDerWaalsContact C-N 3.32Å; G378-R380 PolarHBondContact O-N 3.23Å; R380-S401 PolarHBondContact O-OG 3.3Å; R380-N402 PolarHBondContact O-ND2 3.47Å; R380-E405 IonicContact CZ-OE1 2.77Å; R380-E405 IonicContact CZ-OE2 3.92Å; R380-E405 IonicContact NE-OE1 3.81Å; R380-E405 IonicContact NE-OE2 3.35Å; R380-E405 PolarHBondContact NE-OE2 2.72Å; R380-E405 IonicContact NH2-OE1 2.84Å; R380-E405 PolarHBondContact NH2-OE1 3.24Å; R380-E405 IonicContact NH2-OE2 3.04Å; R380-E405 PolarHBondContact NH2-OE2 3.48Å
381	Y	93.7	Very high	90.4	Very high	1 Å²	1	73.1 Å²	73.1	0%	0.004	37%	0.372	C	S	.	.	H	α-helix	trans	-115.9	-15.8	-169.5	-55.5	-65.8	0	0	0	115.5	F371 F377 A400 S401 N402 E405 L406 L409	F371-Y381 AromaticContact CE1-CE2 3.68Å; F371-Y381 HydrophobicContact CE1-CE2 3.68Å; F371-Y381 HydrophobicContact CZ-CD2 4.48Å; F371-Y381 AromaticContact CZ-CE2 3.71Å; F371-Y381 HydrophobicContact CZ-CE2 3.71Å; F377-Y381 AromaticContact CD2-CD2 3.56Å; F377-Y381 HydrophobicContact CD2-CD2 3.56Å; F377-Y381 HydrophobicContact CD2-CE2 4.12Å; F377-Y381 AromaticContact CE2-CD2 3.7Å; F377-Y381 HydrophobicContact CE2-CD2 3.7Å; F377-Y381 HydrophobicContact CE2-CE2 4.39Å; F377-Y381 HydrophobicContact CE2-CG 4.35Å; F377-Y381 HydrophobicContact CG-CD2 4.18Å; F377-Y381 HydrophobicContact CZ-CD2 4.39Å; F377-Y381 WeakPolarHBondContact O-CD2 3.48Å; F377-Y381 PolarHBondContact O-N 2.79Å; Y381-A400 WeakPolarHBondContact O-CA 3.49Å; Y381-S401 VanDerWaalsContact C-OG 3.28Å; Y381-S401 WeakPolarHBondContact CA-O 3.49Å; Y381-S401 WeakPolarHBondContact CA-OG 3.48Å; Y381-S401 PolarHBondContact O-N 3.02Å; Y381-N402 HydrophobicContact CD1-CB 3.92Å; Y381-N402 HydrophobicContact CE1-CB 3.97Å; Y381-E405 HydrophobicContact CE1-CG 4.23Å; Y381-E405 WeakPolarHBondContact CE1-OE2 3.48Å; Y381-E405 PolarHBondContact OH-OE2 3.3Å; Y381-L406 HydrophobicContact CD1-CB 3.7Å; Y381-L406 HydrophobicContact CD1-CD2 4.33Å; Y381-L406 HydrophobicContact CD1-CG 4.39Å; Y381-L406 HydrophobicContact CD2-CD1 4.24Å; Y381-L406 HydrophobicContact CE1-CB 3.75Å; Y381-L406 HydrophobicContact CE1-CD1 4.45Å; Y381-L406 HydrophobicContact CE2-CD1 4.18Å; Y381-L406 HydrophobicContact CG-CB 4.3Å; Y381-L406 HydrophobicContact CG-CD1 4.4Å; Y381-L406 HydrophobicContact CG-CD2 4.14Å; Y381-L409 WeakPolarHBondContact OH-CD1 3.29Å
382	C	92.9	Very high	90.2	Very high	0 Å²	0	82.2 Å²	82.2	0%	0	41%	0.406	C	S	.	.	S	Bend	trans	-108.3	8.3	-174	-56.9	0	0	0	0	114.1	G378 Y397 G399	G378-C382 WeakPolarHBondContact O-CA 3.48Å; G378-C382 VanDerWaalsContact O-CB 3.28Å; G378-C382 WeakPolarHBondContact O-CB 3.42Å; G378-C382 PolarHBondContact O-N 3.16Å; C382-Y397 HydrophobicContact CB-CD1 4.08Å; C382-Y397 HydrophobicContact CB-CG 4.46Å; C382-G399 CarbonylContact C-O 3.58Å; C382-G399 WeakPolarHBondContact CA-O 3.34Å; C382-G399 CarbonylContact O-C 3.51Å; C382-G399 VanDerWaalsContact O-C 3.29Å; C382-G399 VanDerWaalsContact O-CA 3.3Å; C382-G399 WeakPolarHBondContact O-CA 3.48Å; C382-G399 PolarHBondContact O-N 3.23Å
383	N	91.7	Very high	90.2	Very high	67 Å²	67	76.3 Å²	76.3	36%	0.358	39%	0.392	S	S	.	.			trans	40.1	68.1	179.7	-173.8	10.1	0	0	0	112.7	S401	N383-S401 PolarHBondContact N-OG 3.08Å
384	P	92	Very high	90.1	Very high	31 Å²	31	78 Å²	78	20%	0.201	40%	0.397	C	S	.	.			trans	-66	136.6	-168.9	29.6	-37.1	0	0	0	111.8	E379 W395 K396 Y397	E379-P384 HydrophobicContact CG-CG 4.46Å; P384-W395 HydrophobicContact CB-CE3 3.94Å; P384-W395 HydrophobicContact CB-CZ3 4.28Å; P384-K396 WeakPolarHBondContact CA-O 3.23Å; P384-Y397 HydrophobicContact CB-CD1 3.74Å; P384-Y397 HydrophobicContact CB-CE1 3.66Å; P384-Y397 HydrophobicContact CB-CG 4.46Å; P384-Y397 HydrophobicContact CG-CE1 4.32Å
385	R	91.1	Very high	90	Very high	158 Å²	158	81.5 Å²	81.5	60%	0.596	41%	0.408	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-120.7	137.3	176.6	-61.4	-175.9	-175.4	178.4	0.8	110.8	K396	R385-K396 PolarHBondContact N-O 2.8Å; R385-K396 PolarHBondContact O-N 3.18Å
386	Q	90.9	Very high	90	Very high	125 Å²	125	81.3 Å²	81.3	58%	0.584	41%	0.407	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-77.8	125.3	169.3	-66.6	-176.8	0.1	0	0	109.3	T393 W395	Q386-T393 HydrophobicContact CB-CG2 3.97Å; Q386-T393 HydrophobicContact CG-CG2 4.26Å; Q386-W395 HydrophobicContact CG-CD2 3.81Å; Q386-W395 HydrophobicContact CG-CE3 3.62Å; Q386-W395 HydrophobicContact CG-CH2 3.64Å; Q386-W395 HydrophobicContact CG-CZ2 3.78Å; Q386-W395 HydrophobicContact CG-CZ3 3.54Å
387	V	90.6	Very high	90	Very high	54 Å²	54	81.6 Å²	81.6	33%	0.327	41%	0.407	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	134.7	175.6	-172.4	0	0	0	0	108	I389 I394 K396	V387-I389 HydrophobicContact CG1-CD1 4.39Å; V387-I389 HydrophobicContact CG1-CG1 3.97Å; V387-I394 PolarHBondContact N-O 3.19Å; V387-I394 PolarHBondContact O-N 2.94Å; V387-K396 HydrophobicContact CG2-CB 4.04Å; V387-K396 HydrophobicContact CG2-CD 4.3Å
388	R	88.6	Confident	89.7	Confident	210 Å²	210	83.7 Å²	83.7	79%	0.792	42%	0.422	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-85.7	117.9	171.8	-70.8	-176.2	177.3	-178.9	-0.8	109	R392	R388-R392 WeakPolarHBondContact CA-O 3.29Å
389	I	82.4	Confident	89.6	Confident	104 Å²	104	84.5 Å²	84.5	53%	0.533	43%	0.43	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	120.5	176.4	-58.1	179	0	0	0	107.3	V387 G391 R392 I394	V387-I389 HydrophobicContact CG1-CD1 4.39Å; V387-I389 HydrophobicContact CG1-CG1 3.97Å; I389-G391 VanDerWaalsContact C-N 3.29Å; I389-G391 PolarHBondContact O-N 3.06Å; I389-R392 PolarHBondContact N-O 2.87Å; I389-R392 PolarHBondContact O-N 3.26Å; I389-R392 VanDerWaalsContact O-N 3.08Å; I389-I394 HydrophobicContact CB-CD1 4.41Å
390	G	83.5	Confident	89.5	Confident	83 Å²	83	81.8 Å²	81.8	86%	0.856	43%	0.426	S	S	*	.	T	Hydrogen-bonded Turn	trans	56	38.4	178.3	0	0	0	0	0	114.1	R392	G390-R392 PolarHBondContact O-N 2.88Å
391	G	86	Confident	89.5	Confident	78 Å²	78	81 Å²	81	80%	0.804	43%	0.428	S	S	*	.	T	Hydrogen-bonded Turn	trans	79.1	-13.8	-177.8	0	0	0	0	0	115.6	I389	I389-G391 VanDerWaalsContact C-N 3.29Å; I389-G391 PolarHBondContact O-N 3.06Å
392	R	87.1	Confident	89.3	Confident	198 Å²	198	83.2 Å²	83.2	75%	0.747	44%	0.439	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-93.5	141.7	176.4	-64	-177.9	-177.1	170.9	1.3	111	R388 I389 G390	R388-R392 WeakPolarHBondContact CA-O 3.29Å; I389-R392 PolarHBondContact N-O 2.87Å; I389-R392 PolarHBondContact O-N 3.26Å; I389-R392 VanDerWaalsContact O-N 3.08Å; G390-R392 PolarHBondContact O-N 2.88Å
393	T	88.3	Confident	89.1	Confident	75 Å²	75	87.3 Å²	87.3	46%	0.46	46%	0.461	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	115.6	173.6	-56.1	0	0	0	0	108.9	Q386	Q386-T393 HydrophobicContact CB-CG2 3.97Å; Q386-T393 HydrophobicContact CG-CG2 4.26Å
394	I	89.3	Confident	89	Confident	85 Å²	85	90.1 Å²	90.1	44%	0.436	47%	0.472	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	140.8	-178.3	-56.4	174.7	0	0	0	109	V387 I389	V387-I394 PolarHBondContact N-O 3.19Å; V387-I394 PolarHBondContact O-N 2.94Å; I389-I394 HydrophobicContact CB-CD1 4.41Å
395	W	89.5	Confident	88.9	Confident	127 Å²	127	88.6 Å²	88.6	48%	0.481	46%	0.462	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	120.7	172.4	-69.1	96.5	0	0	0	110.9	P384 Q386 Y397	P384-W395 HydrophobicContact CB-CE3 3.94Å; P384-W395 HydrophobicContact CB-CZ3 4.28Å; Q386-W395 HydrophobicContact CG-CD2 3.81Å; Q386-W395 HydrophobicContact CG-CE3 3.62Å; Q386-W395 HydrophobicContact CG-CH2 3.64Å; Q386-W395 HydrophobicContact CG-CZ2 3.78Å; Q386-W395 HydrophobicContact CG-CZ3 3.54Å; W395-Y397 HydrophobicContact CB-CD2 4.44Å; W395-Y397 HydrophobicContact CB-CE2 3.71Å
396	K	90.6	Very high	88.9	Confident	118 Å²	118	81.4 Å²	81.4	51%	0.513	44%	0.435	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103	117.3	176	-167.3	178.1	-177.9	177.5	0	109.8	P384 R385 V387 S398	P384-K396 WeakPolarHBondContact CA-O 3.23Å; R385-K396 PolarHBondContact N-O 2.8Å; R385-K396 PolarHBondContact O-N 3.18Å; V387-K396 HydrophobicContact CG2-CB 4.04Å; V387-K396 HydrophobicContact CG2-CD 4.3Å; K396-S398 WeakPolarHBondContact CE-OG 3.33Å; K396-S398 PolarHBondContact O-N 2.87Å
397	Y	91	Very high	88.9	Confident	47 Å²	47	80 Å²	80	18%	0.184	43%	0.429	C	S	.	.			trans	-97.9	46.6	-179.4	-64	-92.3	0	0	0	111.6	F374 C382 P384 W395	F374-Y397 HydrophobicContact CE1-CD1 4.13Å; F374-Y397 AromaticContact CE1-CD2 3.66Å; F374-Y397 HydrophobicContact CE1-CD2 3.66Å; F374-Y397 HydrophobicContact CE1-CE1 4.37Å; F374-Y397 AromaticContact CE1-CE2 3.95Å; F374-Y397 HydrophobicContact CE1-CE2 3.95Å; F374-Y397 AromaticContact CE1-CG 3.76Å; F374-Y397 HydrophobicContact CE1-CG 3.76Å; F374-Y397 HydrophobicContact CZ-CD1 4.37Å; F374-Y397 HydrophobicContact CZ-CD2 4.23Å; F374-Y397 AromaticContact CZ-CG 3.95Å; F374-Y397 HydrophobicContact CZ-CG 3.95Å; C382-Y397 HydrophobicContact CB-CD1 4.08Å; C382-Y397 HydrophobicContact CB-CG 4.46Å; P384-Y397 HydrophobicContact CB-CD1 3.74Å; P384-Y397 HydrophobicContact CB-CE1 3.66Å; P384-Y397 HydrophobicContact CB-CG 4.46Å; P384-Y397 HydrophobicContact CG-CE1 4.32Å; W395-Y397 HydrophobicContact CB-CD2 4.44Å; W395-Y397 HydrophobicContact CB-CE2 3.71Å
398	S	87.3	Confident	88.8	Confident	44 Å²	44	79 Å²	79	31%	0.308	42%	0.421	S	S	.	.			trans	-98	-0.3	-174.1	64.2	0	0	0	0	114.6	K396	K396-S398 WeakPolarHBondContact CE-OG 3.33Å; K396-S398 PolarHBondContact O-N 2.87Å
399	G	90.6	Very high	89	Confident	17 Å²	17	69 Å²	69	18%	0.175	38%	0.383	C	S	.	.	S	Bend	trans	-91.3	-171.4	179.1	0	0	0	0	0	112.2	C382	C382-G399 CarbonylContact C-O 3.58Å; C382-G399 WeakPolarHBondContact CA-O 3.34Å; C382-G399 CarbonylContact O-C 3.51Å; C382-G399 VanDerWaalsContact O-C 3.29Å; C382-G399 VanDerWaalsContact O-CA 3.3Å; C382-G399 WeakPolarHBondContact O-CA 3.48Å; C382-G399 PolarHBondContact O-N 3.23Å
400	A	91.4	Very high	89.4	Confident	49 Å²	49	64.1 Å²	64.1	41%	0.405	36%	0.359	S	S	.	.			trans	-139.6	137.8	177.5	0	0	0	0	0	109.5	P356 Y381 L403	P356-A400 HydrophobicContact CG-CB 4.05Å; Y381-A400 WeakPolarHBondContact O-CA 3.49Å; A400-L403 HydrophobicContact CB-CD1 4.03Å; A400-L403 HydrophobicContact CB-CD2 4Å; A400-L403 HydrophobicContact CB-CG 4.22Å
401	S	90.6	Very high	89.8	Confident	31 Å²	31	64.3 Å²	64.3	22%	0.217	34%	0.336	C	S	.	.			trans	-147.7	152	175.3	46.7	0	0	0	0	109.9	R380 Y381 N383 L403	R380-S401 PolarHBondContact O-OG 3.3Å; Y381-S401 VanDerWaalsContact C-OG 3.28Å; Y381-S401 WeakPolarHBondContact CA-O 3.49Å; Y381-S401 WeakPolarHBondContact CA-OG 3.48Å; Y381-S401 PolarHBondContact O-N 3.02Å; N383-S401 PolarHBondContact N-OG 3.08Å; S401-L403 VanDerWaalsContact C-N 3.27Å; S401-L403 PolarHBondContact O-N 3.12Å; S401-L403 VanDerWaalsContact O-N 3.16Å
402	N	89.2	Confident	89.9	Confident	46 Å²	46	63.4 Å²	63.4	25%	0.246	31%	0.311	C	S	.	.			trans	53.3	36.7	174.2	-55.6	-43.4	0	0	0	115	R380 Y381 E404 E405 L406	R380-N402 PolarHBondContact O-ND2 3.47Å; Y381-N402 HydrophobicContact CD1-CB 3.92Å; Y381-N402 HydrophobicContact CE1-CB 3.97Å; N402-E404 PolarHBondContact O-N 3.04Å; N402-E405 HydrophobicContact CB-CB 4.34Å; N402-E405 WeakPolarHBondContact O-CB 3.19Å; N402-E405 PolarHBondContact O-N 3.07Å; N402-E405 VanDerWaalsContact O-N 3.14Å; N402-L406 PolarHBondContact O-N 3.38Å
403	L	89.8	Confident	90.1	Very high	86 Å²	86	55.4 Å²	55.4	45%	0.45	28%	0.284	S	S	.	.	H	α-helix	trans	-63.8	-40.6	-171.1	-64.2	-174.8	0	0	0	114.2	P356 A400 S401 E405 L406 Q407	P356-L403 HydrophobicContact CB-CD2 4.46Å; P356-L403 HydrophobicContact CG-CD2 3.46Å; P356-L403 VanDerWaalsContact CG-CD2 3.46Å; A400-L403 HydrophobicContact CB-CD1 4.03Å; A400-L403 HydrophobicContact CB-CD2 4Å; A400-L403 HydrophobicContact CB-CG 4.22Å; S401-L403 VanDerWaalsContact C-N 3.27Å; S401-L403 PolarHBondContact O-N 3.12Å; S401-L403 VanDerWaalsContact O-N 3.16Å; L403-E405 PolarHBondContact O-N 3.49Å; L403-L406 PolarHBondContact O-N 2.63Å; L403-Q407 WeakPolarHBondContact O-CB 3.32Å; L403-Q407 PolarHBondContact O-N 2.63Å
404	E	88.5	Confident	90.3	Very high	126 Å²	126	52.3 Å²	52.3	59%	0.589	27%	0.265	S	S	*	.	H	α-helix	trans	-67.8	-29.9	178.6	-42.4	152.8	154.7	0	0	110.7	R122 N402 L408	R122-E404 IonicContact CZ-OE2 2.76Å; R122-E404 IonicContact NH1-OE2 2.79Å; R122-E404 PolarHBondContact NH1-OE2 3.37Å; R122-E404 VanDerWaalsContact NH2-CD 3.31Å; R122-E404 IonicContact NH2-OE2 3.9Å; R122-E404 PolarHBondContact NH2-OE2 3.49Å; N402-E404 PolarHBondContact O-N 3.04Å; E404-L408 WeakPolarHBondContact O-CB 3.4Å; E404-L408 PolarHBondContact O-N 2.84Å
405	E	90.3	Very high	90.6	Very high	0 Å²	0	48.8 Å²	48.8	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-67.6	-48.7	173.1	165.2	179.3	-99.9	0	0	109.3	R122 L123 R380 Y381 N402 L403 Q407 L408 L409	R122-E405 WeakPolarHBondContact CA-OE1 3.31Å; R122-E405 HydrophobicContact CG-CB 3.82Å; L123-E405 HydrophobicContact CB-CB 4.49Å; L123-E405 HydrophobicContact CB-CG 3.96Å; L123-E405 PolarHBondContact N-OE1 2.52Å; R380-E405 IonicContact CZ-OE1 2.77Å; R380-E405 IonicContact CZ-OE2 3.92Å; R380-E405 IonicContact NE-OE1 3.81Å; R380-E405 IonicContact NE-OE2 3.35Å; R380-E405 PolarHBondContact NE-OE2 2.72Å; R380-E405 IonicContact NH2-OE1 2.84Å; R380-E405 PolarHBondContact NH2-OE1 3.24Å; R380-E405 IonicContact NH2-OE2 3.04Å; R380-E405 PolarHBondContact NH2-OE2 3.48Å; Y381-E405 HydrophobicContact CE1-CG 4.23Å; Y381-E405 WeakPolarHBondContact CE1-OE2 3.48Å; Y381-E405 PolarHBondContact OH-OE2 3.3Å; N402-E405 HydrophobicContact CB-CB 4.34Å; N402-E405 WeakPolarHBondContact O-CB 3.19Å; N402-E405 PolarHBondContact O-N 3.07Å; N402-E405 VanDerWaalsContact O-N 3.14Å; L403-E405 PolarHBondContact O-N 3.49Å; E405-Q407 VanDerWaalsContact C-N 3.32Å; E405-Q407 PolarHBondContact O-N 3.4Å; E405-L408 PolarHBondContact O-N 3.4Å; E405-L409 HydrophobicContact CG-CD1 4.1Å; E405-L409 HydrophobicContact CG-CG 4.39Å; E405-L409 VanDerWaalsContact O-CG 3.28Å; E405-L409 WeakPolarHBondContact O-CG 3.2Å; E405-L409 PolarHBondContact O-N 3.1Å
406	L	92.1	Very high	90.9	Very high	6 Å²	6	44 Å²	44	3%	0.031	23%	0.23	C	C	.	.	H	α-helix	trans	-57.6	-45.9	177	179.5	58.7	0	0	0	111.7	P356 L359 F371 F377 Y381 N402 L403 L408 L409 L410	P356-L406 HydrophobicContact CB-CD2 4.2Å; L359-L406 HydrophobicContact CD1-CD2 4.45Å; F371-L406 HydrophobicContact CZ-CD1 4.36Å; F377-L406 HydrophobicContact CE2-CD1 3.82Å; F377-L406 HydrophobicContact CE2-CD2 4.09Å; F377-L406 HydrophobicContact CZ-CD2 4.04Å; Y381-L406 HydrophobicContact CD1-CB 3.7Å; Y381-L406 HydrophobicContact CD1-CD2 4.33Å; Y381-L406 HydrophobicContact CD1-CG 4.39Å; Y381-L406 HydrophobicContact CD2-CD1 4.24Å; Y381-L406 HydrophobicContact CE1-CB 3.75Å; Y381-L406 HydrophobicContact CE1-CD1 4.45Å; Y381-L406 HydrophobicContact CE2-CD1 4.18Å; Y381-L406 HydrophobicContact CG-CB 4.3Å; Y381-L406 HydrophobicContact CG-CD1 4.4Å; Y381-L406 HydrophobicContact CG-CD2 4.14Å; N402-L406 PolarHBondContact O-N 3.38Å; L403-L406 PolarHBondContact O-N 2.63Å; L406-L408 VanDerWaalsContact C-N 3.35Å; L406-L408 PolarHBondContact O-N 3.06Å; L406-L409 PolarHBondContact O-N 2.9Å; L406-L410 HydrophobicContact CD1-CD1 4.01Å; L406-L410 HydrophobicContact CD1-CD2 4.47Å; L406-L410 HydrophobicContact CD1-CG 4.01Å; L406-L410 HydrophobicContact CG-CD1 4.01Å; L406-L410 HydrophobicContact CG-CG 4.39Å; L406-L410 VanDerWaalsContact O-CG 3.27Å; L406-L410 WeakPolarHBondContact O-CG 3.39Å; L406-L410 PolarHBondContact O-N 3.34Å
407	Q	90.4	Very high	91	Very high	96 Å²	96	43.8 Å²	43.8	45%	0.449	23%	0.226	S	C	.	.	H	α-helix	trans	-59.8	-46.2	179.2	-174.5	-178.9	11.6	0	0	111.3	L403 E405 L410 K411	L403-Q407 WeakPolarHBondContact O-CB 3.32Å; L403-Q407 PolarHBondContact O-N 2.63Å; E405-Q407 VanDerWaalsContact C-N 3.32Å; E405-Q407 PolarHBondContact O-N 3.4Å; Q407-L410 PolarHBondContact O-N 3.33Å; Q407-K411 HydrophobicContact CG-CD 4.3Å; Q407-K411 WeakPolarHBondContact O-CB 3.22Å; Q407-K411 WeakPolarHBondContact O-CG 3.37Å; Q407-K411 PolarHBondContact O-N 2.92Å
408	L	89.5	Confident	91.1	Very high	32 Å²	32	42.9 Å²	42.9	17%	0.168	22%	0.222	C	C	.	.	H	α-helix	trans	-60.5	-48.7	176.4	178.2	63.8	0	0	0	111.1	L123 E404 E405 L406 L410 K411 E412	L123-L408 HydrophobicContact CB-CD2 4.47Å; L123-L408 HydrophobicContact CD2-CD2 3.54Å; L123-L408 HydrophobicContact CD2-CG 4.13Å; L123-L408 HydrophobicContact CG-CD2 3.63Å; E404-L408 WeakPolarHBondContact O-CB 3.4Å; E404-L408 PolarHBondContact O-N 2.84Å; E405-L408 PolarHBondContact O-N 3.4Å; L406-L408 VanDerWaalsContact C-N 3.35Å; L406-L408 PolarHBondContact O-N 3.06Å; L408-L410 VanDerWaalsContact C-N 3.3Å; L408-L410 PolarHBondContact O-N 3.13Å; L408-K411 PolarHBondContact O-N 2.74Å; L408-E412 HydrophobicContact CD1-CG 3.86Å; L408-E412 HydrophobicContact CG-CG 4.35Å; L408-E412 WeakPolarHBondContact O-CB 3.42Å; L408-E412 VanDerWaalsContact O-CG 3.27Å; L408-E412 WeakPolarHBondContact O-CG 3.21Å; L408-E412 PolarHBondContact O-N 3.35Å
409	L	91.1	Very high	91.1	Very high	0 Å²	0	42 Å²	42	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-58.1	-43.3	178.5	-67.9	178.5	0	0	0	112	L123 P170 V172 A173 V176 Y381 E405 L406 T413	L123-L409 HydrophobicContact CD2-CD2 3.68Å; L123-L409 HydrophobicContact CD2-CG 4.44Å; P170-L409 HydrophobicContact CG-CD1 4.42Å; V172-L409 HydrophobicContact CB-CD1 4.47Å; V172-L409 HydrophobicContact CG1-CD1 4.4Å; V172-L409 HydrophobicContact CG1-CD2 4.16Å; A173-L409 HydrophobicContact CB-CD2 3.89Å; V176-L409 HydrophobicContact CB-CD2 4.34Å; V176-L409 HydrophobicContact CG2-CD2 3.89Å; Y381-L409 WeakPolarHBondContact OH-CD1 3.29Å; E405-L409 HydrophobicContact CG-CD1 4.1Å; E405-L409 HydrophobicContact CG-CG 4.39Å; E405-L409 VanDerWaalsContact O-CG 3.28Å; E405-L409 WeakPolarHBondContact O-CG 3.2Å; E405-L409 PolarHBondContact O-N 3.1Å; L406-L409 PolarHBondContact O-N 2.9Å; L409-T413 WeakPolarHBondContact O-CB 3.5Å; L409-T413 VanDerWaalsContact O-CG2 3.28Å; L409-T413 WeakPolarHBondContact O-CG2 3.44Å; L409-T413 PolarHBondContact O-N 3.35Å; L409-T413 PolarHBondContact O-OG1 2.95Å
410	L	92.5	Very high	90.8	Very high	3 Å²	3	41.6 Å²	41.6	2%	0.016	21%	0.21	C	C	.	.	H	α-helix	trans	-66.9	-47.3	179.1	-67.2	177.4	0	0	0	111.4	L359 I363 L406 Q407 L408 E412 T413 I414 M415	L359-L410 HydrophobicContact CD1-CD1 4.33Å; I363-L410 HydrophobicContact CD1-CD1 4.17Å; I363-L410 HydrophobicContact CD1-CD2 3.73Å; I363-L410 HydrophobicContact CG1-CD2 3.77Å; L406-L410 HydrophobicContact CD1-CD1 4.01Å; L406-L410 HydrophobicContact CD1-CD2 4.47Å; L406-L410 HydrophobicContact CD1-CG 4.01Å; L406-L410 HydrophobicContact CG-CD1 4.01Å; L406-L410 HydrophobicContact CG-CG 4.39Å; L406-L410 VanDerWaalsContact O-CG 3.27Å; L406-L410 WeakPolarHBondContact O-CG 3.39Å; L406-L410 PolarHBondContact O-N 3.34Å; Q407-L410 PolarHBondContact O-N 3.33Å; L408-L410 VanDerWaalsContact C-N 3.3Å; L408-L410 PolarHBondContact O-N 3.13Å; L410-E412 VanDerWaalsContact C-N 3.3Å; L410-E412 PolarHBondContact O-N 3.48Å; L410-T413 PolarHBondContact O-N 3.03Å; L410-I414 HydrophobicContact CD2-CD1 3.91Å; L410-I414 HydrophobicContact CD2-CG1 3.99Å; L410-I414 PolarHBondContact O-N 2.92Å; L410-M415 HydrophobicContact CB-CB 3.88Å; L410-M415 HydrophobicContact CB-CE 3.73Å; L410-M415 HydrophobicContact CB-SD 4.16Å; L410-M415 HydrophobicContact CD1-CE 4.39Å; L410-M415 HydrophobicContact CD1-SD 4.27Å; L410-M415 WeakPolarHBondContact O-CB 3.44Å; L410-M415 PolarHBondContact O-N 2.79Å
411	K	90.7	Very high	90.5	Very high	86 Å²	86	46 Å²	46	37%	0.374	22%	0.222	S	C	.	.	H	α-helix	trans	-57.7	-42.1	177.3	-77.1	-174.5	171.4	-167.5	0	112.4	Q407 L408 T413 M415	Q407-K411 HydrophobicContact CG-CD 4.3Å; Q407-K411 WeakPolarHBondContact O-CB 3.22Å; Q407-K411 WeakPolarHBondContact O-CG 3.37Å; Q407-K411 PolarHBondContact O-N 2.92Å; L408-K411 PolarHBondContact O-N 2.74Å; K411-T413 VanDerWaalsContact C-N 3.3Å; K411-T413 PolarHBondContact O-N 3.15Å; K411-M415 WeakPolarHBondContact CA-O 3.48Å; K411-M415 HydrophobicContact CG-CE 4.02Å
412	E	88.8	Confident	90.1	Very high	59 Å²	59	50.2 Å²	50.2	28%	0.276	24%	0.238	S	C	.	.	H	α-helix	trans	-75.6	-15.6	-178.3	-70.6	-61.8	146.1	0	0	113.9	V176 R215 L408 L410	V176-E412 HydrophobicContact CG1-CB 3.95Å; V176-E412 HydrophobicContact CG1-CG 4.03Å; V176-E412 HydrophobicContact CG2-CB 4.33Å; R215-E412 PolarHBondContact NH1-O 2.87Å; R215-E412 PolarHBondContact NH2-O 2.91Å; L408-E412 HydrophobicContact CD1-CG 3.86Å; L408-E412 HydrophobicContact CG-CG 4.35Å; L408-E412 WeakPolarHBondContact O-CB 3.42Å; L408-E412 VanDerWaalsContact O-CG 3.27Å; L408-E412 WeakPolarHBondContact O-CG 3.21Å; L408-E412 PolarHBondContact O-N 3.35Å; L410-E412 VanDerWaalsContact C-N 3.3Å; L410-E412 PolarHBondContact O-N 3.48Å
413	T	90.6	Very high	90	Very high	30 Å²	30	48.4 Å²	48.4	18%	0.184	23%	0.229	C	C	.	.	H	α-helix	trans	-118.6	-60.5	-171.5	59.7	0	0	0	0	114	V176 R215 L409 L410 K411	V176-T413 HydrophobicContact CG2-CG2 3.79Å; R215-T413 VanDerWaalsContact CD-O 3.29Å; R215-T413 WeakPolarHBondContact CD-O 3.43Å; L409-T413 WeakPolarHBondContact O-CB 3.5Å; L409-T413 VanDerWaalsContact O-CG2 3.28Å; L409-T413 WeakPolarHBondContact O-CG2 3.44Å; L409-T413 PolarHBondContact O-N 3.35Å; L409-T413 PolarHBondContact O-OG1 2.95Å; L410-T413 PolarHBondContact O-N 3.03Å; K411-T413 VanDerWaalsContact C-N 3.3Å; K411-T413 PolarHBondContact O-N 3.15Å
414	I	93.4	Very high	89.4	Confident	11 Å²	11	46.5 Å²	46.5	6%	0.056	22%	0.219	C	C	.	.	T	Hydrogen-bonded Turn	trans	-133	-13.3	-164.2	62.7	168.4	0	0	0	114.6	V219 L220 I363 V366 A367 I370 L410	V219-I414 CarbonylContact C-O 3.51Å; V219-I414 WeakPolarHBondContact CA-O 3.47Å; V219-I414 WeakPolarHBondContact CG1-O 2.94Å; L220-I414 PolarHBondContact N-O 2.77Å; I363-I414 HydrophobicContact CB-CD1 4.42Å; I363-I414 HydrophobicContact CG1-CD1 4.29Å; I363-I414 HydrophobicContact CG2-CD1 4.11Å; V366-I414 HydrophobicContact CB-CD1 4.33Å; V366-I414 HydrophobicContact CG1-CB 3.93Å; V366-I414 HydrophobicContact CG1-CD1 4.27Å; V366-I414 HydrophobicContact CG1-CG2 4.13Å; A367-I414 HydrophobicContact CB-CD1 4.46Å; A367-I414 HydrophobicContact CB-CG2 3.79Å; I370-I414 HydrophobicContact CD1-CD1 4.47Å; L410-I414 HydrophobicContact CD2-CD1 3.91Å; L410-I414 HydrophobicContact CD2-CG1 3.99Å; L410-I414 PolarHBondContact O-N 2.92Å
415	M	94.8	Very high	89.1	Confident	10 Å²	10	46.2 Å²	46.2	5%	0.049	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	125.8	-169.8	-175.3	-179.3	72.1	0	0	110.8	L220 A222 L410 K411 R417	L220-M415 HydrophobicContact CB-CB 4.41Å; L220-M415 HydrophobicContact CB-CG 4.4Å; L220-M415 HydrophobicContact CD2-CG 4.08Å; L220-M415 HydrophobicContact CD2-SD 4.13Å; L220-M415 HydrophobicContact CG-CG 4.25Å; L220-M415 WeakPolarHBondContact O-CA 3.44Å; A222-M415 HydrophobicContact CB-CG 3.83Å; A222-M415 HydrophobicContact CB-SD 4.11Å; L410-M415 HydrophobicContact CB-CB 3.88Å; L410-M415 HydrophobicContact CB-CE 3.73Å; L410-M415 HydrophobicContact CB-SD 4.16Å; L410-M415 HydrophobicContact CD1-CE 4.39Å; L410-M415 HydrophobicContact CD1-SD 4.27Å; L410-M415 WeakPolarHBondContact O-CB 3.44Å; L410-M415 PolarHBondContact O-N 2.79Å; K411-M415 WeakPolarHBondContact CA-O 3.48Å; K411-M415 HydrophobicContact CG-CE 4.02Å; M415-R417 HydrophobicContact CE-CB 4.41Å; M415-R417 HydrophobicContact CG-CB 4.47Å
416	L	95.3	Very high	88.5	Confident	27 Å²	27	49.1 Å²	49.1	14%	0.141	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	126	165.4	-176.1	64.9	0	0	0	108.2	A208 F211 L220 L221 A222 D223	A208-L416 HydrophobicContact CB-CD2 3.47Å; A208-L416 VanDerWaalsContact CB-CD2 3.47Å; F211-L416 HydrophobicContact CB-CD2 4.43Å; F211-L416 HydrophobicContact CD1-CB 3.93Å; F211-L416 HydrophobicContact CD1-CD2 4.5Å; F211-L416 HydrophobicContact CE1-CB 3.96Å; F211-L416 HydrophobicContact CG-CB 4.47Å; L220-L416 PolarHBondContact O-N 3.11Å; L221-L416 HydrophobicContact CD2-CB 4.1Å; L221-L416 HydrophobicContact CD2-CD2 4.1Å; A222-L416 CarbonylContact C-O 3.58Å; A222-L416 WeakPolarHBondContact CA-O 3.36Å; A222-L416 WeakPolarHBondContact CB-O 2.82Å; A222-L416 PolarHBondContact N-O 3.42Å; D223-L416 PolarHBondContact N-O 2.75Å
417	R	93.3	Very high	87.9	Confident	114 Å²	114	49.7 Å²	49.7	43%	0.43	25%	0.247	S	C	.	.			trans	-147.9	107.6	179	178.6	165.7	-175.1	177.8	1.7	110.8	A222 D223 M415	A222-R417 HydrophobicContact CB-CB 3.9Å; A222-R417 HydrophobicContact CB-CG 4.27Å; A222-R417 WeakPolarHBondContact O-CG 3.03Å; D223-R417 VanDerWaalsContact OD1-CA 3.29Å; D223-R417 WeakPolarHBondContact OD1-CA 3.42Å; M415-R417 HydrophobicContact CE-CB 4.41Å; M415-R417 HydrophobicContact CG-CB 4.47Å
418	R	91.9	Very high	87.5	Confident	27 Å²	27	47.5 Å²	47.5	10%	0.102	24%	0.241	C	C	.	.			trans	-113.3	147.8	172.7	-63.7	167.2	-67.8	-164.8	5.4	111	F204 D223 E224 L227 E232 E422 V423	F204-R418 VanDerWaalsContact C-NH1 3.28Å; F204-R418 PolarHBondContact O-NH1 2.91Å; D223-R418 PolarHBondContact OD1-N 3.49Å; D223-R418 IonicContact OD1-NE 3.57Å; D223-R418 PolarHBondContact OD1-NE 3.25Å; D223-R418 IonicContact OD2-CZ 3.54Å; D223-R418 IonicContact OD2-NE 3.96Å; D223-R418 PolarHBondContact OD2-NE 3.2Å; D223-R418 IonicContact OD2-NH2 2.93Å; D223-R418 PolarHBondContact OD2-NH2 3.4Å; E224-R418 PolarHBondContact N-O 2.97Å; L227-R418 HydrophobicContact CD1-CB 4.3Å; L227-R418 WeakPolarHBondContact CD1-O 3.43Å; E232-R418 IonicContact OE1-CZ 3.91Å; E232-R418 IonicContact OE1-NH2 4Å; E232-R418 PolarHBondContact OE1-NH2 3.34Å; R418-E422 WeakPolarHBondContact CA-OE2 3.28Å; R418-V423 HydrophobicContact CB-CG1 4.45Å
419	S	88.3	Confident	87.1	Confident	27 Å²	27	49.1 Å²	49.1	19%	0.189	25%	0.254	C	S	.	.			trans	-90.4	160.4	169.7	59.7	0	0	0	0	111.2	E224 E421 E422	E224-S419 WeakPolarHBondContact OE2-CA 3.27Å; S419-E421 PolarHBondContact O-N 2.94Å; S419-E422 PolarHBondContact N-OE1 2.99Å; S419-E422 WeakPolarHBondContact O-CB 3.22Å; S419-E422 PolarHBondContact O-N 2.93Å; S419-E422 VanDerWaalsContact OG-CD 3.22Å; S419-E422 WeakPolarHBondContact OG-CG 3.38Å; S419-E422 PolarHBondContact OG-N 3.43Å; S419-E422 PolarHBondContact OG-OE1 3.24Å
420	K	84.5	Confident	86.8	Confident	8 Å²	8	49.6 Å²	49.6	4%	0.035	26%	0.256	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.2	-39.1	171.4	-76.3	-179.6	177.9	-172.4	0	111.9	E224 M225 L227 E422 V423 L424 L427 S593	E224-K420 HydrophobicContact CG-CG 4.43Å; E224-K420 PolarHBondContact OE2-N 3.33Å; M225-K420 WeakPolarHBondContact O-CE 3.46Å; L227-K420 HydrophobicContact CD2-CG 4Å; L227-K420 HydrophobicContact CG-CG 4.47Å; K420-E422 VanDerWaalsContact C-N 3.29Å; K420-E422 PolarHBondContact O-N 3.21Å; K420-V423 CarbonylContact O-C 3.57Å; K420-V423 PolarHBondContact O-N 3.14Å; K420-L424 VanDerWaalsContact O-CA 3.23Å; K420-L424 WeakPolarHBondContact O-CA 3.33Å; K420-L424 VanDerWaalsContact O-CB 3.29Å; K420-L424 WeakPolarHBondContact O-CB 3.3Å; K420-L424 PolarHBondContact O-N 3.46Å; K420-L427 HydrophobicContact CB-CD1 4.39Å; K420-L427 HydrophobicContact CG-CD1 4.24Å; K420-S593 PolarHBondContact NZ-O 3.3Å
421	E	83.8	Confident	86.5	Confident	141 Å²	141	51.2 Å²	51.2	66%	0.659	26%	0.264	S	S	*	.	G	3₁₀ helix	trans	-58.6	-40.5	177.5	-64.4	173.2	-167.5	0	0	111.8	S419 V423	S419-E421 PolarHBondContact O-N 2.94Å; E421-V423 VanDerWaalsContact C-N 3.28Å; E421-V423 PolarHBondContact O-N 3.38Å
422	E	84.2	Confident	86.3	Confident	120 Å²	120	49 Å²	49	56%	0.561	25%	0.253	S	S	*	.	G	3₁₀ helix	trans	-65.7	-27.5	179.1	-77.3	162	-125.5	0	0	113.8	R418 S419 K420	R418-E422 WeakPolarHBondContact CA-OE2 3.28Å; S419-E422 PolarHBondContact N-OE1 2.99Å; S419-E422 WeakPolarHBondContact O-CB 3.22Å; S419-E422 PolarHBondContact O-N 2.93Å; S419-E422 VanDerWaalsContact OG-CD 3.22Å; S419-E422 WeakPolarHBondContact OG-CG 3.38Å; S419-E422 PolarHBondContact OG-N 3.43Å; S419-E422 PolarHBondContact OG-OE1 3.24Å; K420-E422 VanDerWaalsContact C-N 3.29Å; K420-E422 PolarHBondContact O-N 3.21Å
423	V	85.1	Confident	86.3	Confident	7 Å²	7	48.4 Å²	48.4	4%	0.042	25%	0.25	C	C	.	.	G	3₁₀ helix	trans	-120.6	16	-176.5	-59.2	0	0	0	0	112.5	F204 L227 R418 K420 E421 S425 E426 L427	F204-V423 HydrophobicContact CB-CB 4.41Å; F204-V423 HydrophobicContact CB-CG1 3.85Å; F204-V423 HydrophobicContact CD1-CB 4.14Å; F204-V423 HydrophobicContact CD1-CG1 4.45Å; F204-V423 HydrophobicContact CD1-CG2 4.4Å; F204-V423 HydrophobicContact CD2-CG1 4.38Å; F204-V423 HydrophobicContact CE1-CG2 4.46Å; F204-V423 HydrophobicContact CG-CB 4.17Å; F204-V423 HydrophobicContact CG-CG1 3.99Å; F204-V423 HydrophobicContact CG-CG2 4.48Å; L227-V423 HydrophobicContact CD1-CG2 4.29Å; L227-V423 HydrophobicContact CD2-CG2 3.54Å; R418-V423 HydrophobicContact CB-CG1 4.45Å; K420-V423 CarbonylContact O-C 3.57Å; K420-V423 PolarHBondContact O-N 3.14Å; E421-V423 VanDerWaalsContact C-N 3.28Å; E421-V423 PolarHBondContact O-N 3.38Å; V423-S425 VanDerWaalsContact C-N 3.26Å; V423-S425 PolarHBondContact O-N 2.58Å; V423-E426 WeakPolarHBondContact O-CB 3.4Å; V423-E426 PolarHBondContact O-N 2.87Å; V423-L427 HydrophobicContact CG2-CD1 4Å; V423-L427 HydrophobicContact CG2-CG 4.21Å; V423-L427 PolarHBondContact O-N 2.93Å
424	L	78	Confident	86.4	Confident	47 Å²	47	48.9 Å²	48.9	25%	0.246	25%	0.253	C	S	.	.	G	3₁₀ helix	trans	-61.7	-36	-168.5	-176.4	63.6	0	0	0	112.6	K420 E426 L427 L591	K420-L424 VanDerWaalsContact O-CA 3.23Å; K420-L424 WeakPolarHBondContact O-CA 3.33Å; K420-L424 VanDerWaalsContact O-CB 3.29Å; K420-L424 WeakPolarHBondContact O-CB 3.3Å; K420-L424 PolarHBondContact O-N 3.46Å; L424-E426 PolarHBondContact O-N 3.11Å; L424-E426 VanDerWaalsContact O-N 3.15Å; L424-L427 PolarHBondContact O-N 3.32Å; L424-L427 VanDerWaalsContact O-N 3.09Å; L424-L591 WeakPolarHBondContact CD1-O 3.44Å; L424-L591 HydrophobicContact CD2-CB 4.05Å; L424-L591 WeakPolarHBondContact CD2-O 3.46Å
425	S	81.4	Confident	86.4	Confident	119 Å²	119	48.5 Å²	48.5	83%	0.832	25%	0.251	S	S	*	.	G	3₁₀ helix	trans	-61.2	-19.7	176.5	52.6	0	0	0	0	113.7	V423	V423-S425 VanDerWaalsContact C-N 3.26Å; V423-S425 PolarHBondContact O-N 2.58Å
426	E	78.1	Confident	86.3	Confident	61 Å²	61	48.5 Å²	48.5	29%	0.285	25%	0.251	S	S	.	.	G	3₁₀ helix	trans	-99.4	-9.3	179.7	-57.6	-179	-144.5	0	0	112.6	L203 F204 V423 L424	L203-E426 WeakPolarHBondContact CB-OE2 3.41Å; F204-E426 WeakPolarHBondContact CB-OE2 3.37Å; F204-E426 HydrophobicContact CD1-CB 4.05Å; F204-E426 VanDerWaalsContact CD1-OE2 3.31Å; F204-E426 WeakPolarHBondContact CD1-OE2 3.41Å; F204-E426 PolarHBondContact N-OE2 3.3Å; V423-E426 WeakPolarHBondContact O-CB 3.4Å; V423-E426 PolarHBondContact O-N 2.87Å; L424-E426 PolarHBondContact O-N 3.11Å; L424-E426 VanDerWaalsContact O-N 3.15Å
427	L	79.8	Confident	86.1	Confident	19 Å²	19	47.3 Å²	47.3	10%	0.099	25%	0.245	C	C	.	.	S	Bend	trans	-98.5	142.7	-176.2	-65	177.1	0	0	0	112	F204 L227 K420 V423 L424 I431	F204-L427 HydrophobicContact CE1-CD2 3.62Å; F204-L427 HydrophobicContact CZ-CD2 3.82Å; L227-L427 HydrophobicContact CD2-CD1 3.63Å; L227-L427 HydrophobicContact CD2-CD2 4.1Å; L227-L427 HydrophobicContact CD2-CG 4.4Å; K420-L427 HydrophobicContact CB-CD1 4.39Å; K420-L427 HydrophobicContact CG-CD1 4.24Å; V423-L427 HydrophobicContact CG2-CD1 4Å; V423-L427 HydrophobicContact CG2-CG 4.21Å; V423-L427 PolarHBondContact O-N 2.93Å; L424-L427 PolarHBondContact O-N 3.32Å; L424-L427 VanDerWaalsContact O-N 3.09Å; L427-I431 HydrophobicContact CD2-CD1 4.24Å
428	P	82	Confident	85.6	Confident	49 Å²	49	42 Å²	42	32%	0.318	23%	0.226	S	C	.	.			trans	-69	157.4	166.5	31.3	-34.6	0	0	0	110.8	K430 I431 S593	P428-K430 PolarHBondContact O-N 3.26Å; P428-I431 HydrophobicContact CG-CD1 4.49Å; P428-I431 HydrophobicContact CG-CG1 3.71Å; P428-S593 VanDerWaalsContact O-CB 3.31Å; P428-S593 WeakPolarHBondContact O-CB 3.31Å; P428-S593 PolarHBondContact O-OG 3.13Å
429	P	82.4	Confident	84.9	Confident	66 Å²	66	46.4 Å²	46.4	43%	0.429	25%	0.245	S	C	.	.	S	Bend	trans	-60.4	-30.2	179.6	23.5	-34.1	0	0	0	112.9	H586 S593 V594	P429-H586 WeakPolarHBondContact CB-NE2 3.23Å; P429-S593 VanDerWaalsContact O-CA 3.3Å; P429-S593 WeakPolarHBondContact O-CA 3.24Å; P429-V594 PolarHBondContact O-N 2.96Å
430	K	83.9	Confident	84.2	Confident	11 Å²	11	48.5 Å²	48.5	5%	0.048	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	135	175.8	-61.3	171.8	-168.2	151.4	0	109.8	P428 D583 H586 V594 E628	P428-K430 PolarHBondContact O-N 3.26Å; K430-D583 WeakPolarHBondContact CE-OD1 3.25Å; K430-D583 IonicContact NZ-OD1 3.32Å; K430-D583 PolarHBondContact NZ-OD1 3.24Å; K430-H586 HydrophobicContact CG-CB 4.48Å; K430-V594 CarbonylContact C-O 3.45Å; K430-V594 VanDerWaalsContact CA-O 3.32Å; K430-V594 WeakPolarHBondContact CA-O 3.42Å; K430-E628 IonicContact NZ-OE1 3.51Å; K430-E628 PolarHBondContact NZ-OE1 3.02Å; K430-E628 IonicContact NZ-OE2 2.67Å
431	I	85.4	Confident	83.8	Confident	36 Å²	36	50.1 Å²	50.1	19%	0.185	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	120.5	171.7	-62.2	171	0	0	0	106.7	G226 L427 P428 V594 L595 V596	G226-I431 WeakPolarHBondContact O-CD1 3.43Å; L427-I431 HydrophobicContact CD2-CD1 4.24Å; P428-I431 HydrophobicContact CG-CD1 4.49Å; P428-I431 HydrophobicContact CG-CG1 3.71Å; I431-V594 PolarHBondContact N-O 2.93Å; I431-L595 HydrophobicContact CB-CD1 4.21Å; I431-L595 HydrophobicContact CG2-CD1 3.99Å; I431-L595 WeakPolarHBondContact O-CA 3.49Å; I431-V596 PolarHBondContact O-N 3.37Å
432	R	87.9	Confident	83.7	Confident	40 Å²	40	43.7 Å²	43.7	15%	0.151	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	126.3	177.7	-63.5	178.5	-179.9	96	-4.4	109.1	E582 V596 Y598 E628 F630	R432-E582 IonicContact CZ-OE1 2.79Å; R432-E582 IonicContact CZ-OE2 3.37Å; R432-E582 IonicContact NE-OE1 2.67Å; R432-E582 PolarHBondContact NE-OE1 3Å; R432-E582 IonicContact NE-OE2 3.86Å; R432-E582 PolarHBondContact NE-OE2 3.49Å; R432-E582 IonicContact NH2-OE1 3.19Å; R432-E582 IonicContact NH2-OE2 2.82Å; R432-E582 PolarHBondContact NH2-OE2 3.39Å; R432-V596 CarbonylContact C-O 3.58Å; R432-V596 WeakPolarHBondContact CA-O 3.48Å; R432-V596 HydrophobicContact CG-CB 4.13Å; R432-Y598 HydrophobicContact CB-CE2 4.38Å; R432-Y598 HydrophobicContact CG-CE2 4.32Å; R432-E628 IonicContact CZ-OE2 3.51Å; R432-E628 IonicContact NH1-OE2 3.59Å; R432-E628 PolarHBondContact NH1-OE2 3.46Å; R432-E628 IonicContact NH2-OE2 3.37Å; R432-E628 PolarHBondContact NH2-OE2 3.2Å; R432-F630 HydrophobicContact CB-CD1 4.35Å; R432-F630 HydrophobicContact CB-CE1 3.59Å; R432-F630 HydrophobicContact CB-CZ 3.95Å; R432-F630 HydrophobicContact CG-CE1 4.3Å; R432-F630 HydrophobicContact CG-CZ 4.17Å
433	K	88.9	Confident	83.4	Confident	47 Å²	47	39.7 Å²	39.7	20%	0.204	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	140.1	179.9	178.6	166.5	179.2	147	0	110.1	E261 L595 V596 E597 Y598	E261-K433 WeakPolarHBondContact OE1-CE 3.38Å; E261-K433 IonicContact OE1-NZ 2.79Å; E261-K433 PolarHBondContact OE1-NZ 2.89Å; K433-L595 HydrophobicContact CB-CD1 4.29Å; K433-V596 PolarHBondContact N-O 3.02Å; K433-E597 HydrophobicContact CB-CG 4.43Å; K433-E597 CarbonylContact O-C 3.6Å; K433-E597 WeakPolarHBondContact O-CA 3.4Å; K433-Y598 PolarHBondContact O-N 3.27Å
434	T	91.5	Very high	83.1	Confident	40 Å²	40	44.8 Å²	44.8	25%	0.245	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	131	169.4	-53.4	0	0	0	0	108.9	V436 V600 W610	T434-V436 HydrophobicContact CG2-CG2 4.34Å; T434-V600 HydrophobicContact CG2-CB 4.18Å; T434-V600 HydrophobicContact CG2-CG1 3.88Å; T434-V600 HydrophobicContact CG2-CG2 3.2Å; T434-W610 WeakPolarHBondContact OG1-CZ2 3.49Å
435	V	93	Very high	83.2	Confident	2 Å²	2	46.7 Å²	46.7	1%	0.012	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	111	173.4	177.5	0	0	0	0	107.3	L437 Y484 E597 Y598 L599 V600	V435-L437 PolarHBondContact O-N 3.45Å; V435-Y484 HydrophobicContact CG1-CD2 3.93Å; V435-Y484 HydrophobicContact CG1-CE2 3.54Å; V435-Y484 HydrophobicContact CG2-CE2 4.46Å; V435-E597 HydrophobicContact CG2-CB 4.06Å; V435-E597 HydrophobicContact CG2-CG 4.2Å; V435-Y598 PolarHBondContact N-O 3.45Å; V435-L599 HydrophobicContact CB-CD2 3.66Å; V435-L599 HydrophobicContact CG1-CD2 3.88Å; V435-L599 HydrophobicContact CG2-CD2 4.17Å; V435-V600 PolarHBondContact O-N 2.9Å
436	V	93.1	Very high	83.2	Confident	10 Å²	10	43.4 Å²	43.4	6%	0.061	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	114.1	178.8	-177.6	0	0	0	0	108.8	C256 T257 E260 T434 V600 K602	C256-V436 HydrophobicContact CB-CB 4.45Å; C256-V436 HydrophobicContact CB-CG1 4.21Å; C256-V436 WeakPolarHBondContact CB-O 3.35Å; T257-V436 PolarHBondContact OG1-N 2.57Å; T257-V436 PolarHBondContact OG1-O 2.69Å; E260-V436 HydrophobicContact CB-CG2 4.47Å; E260-V436 HydrophobicContact CG-CB 4.17Å; E260-V436 HydrophobicContact CG-CG1 4.42Å; E260-V436 HydrophobicContact CG-CG2 3.83Å; T434-V436 HydrophobicContact CG2-CG2 4.34Å; V436-V600 WeakPolarHBondContact CA-O 3.39Å; V436-V600 HydrophobicContact CG2-CG2 3.91Å; V436-K602 HydrophobicContact CG1-CG 4.38Å
437	L	92.6	Very high	83.3	Confident	3 Å²	3	42.5 Å²	42.5	2%	0.016	24%	0.239	C	C	.	.			trans	-66.2	151	179.7	-66.7	178.5	0	0	0	111.6	V435 K439 I442 K477 A480 I481 L599 V600	V435-L437 PolarHBondContact O-N 3.45Å; L437-K439 PolarHBondContact O-N 3.05Å; L437-I442 HydrophobicContact CB-CD1 3.52Å; L437-I442 HydrophobicContact CD1-CD1 4.33Å; L437-K477 HydrophobicContact CD1-CB 4.12Å; L437-K477 HydrophobicContact CD1-CD 4.38Å; L437-K477 VanDerWaalsContact CD1-CE 3.49Å; L437-K477 HydrophobicContact CD1-CG 4.07Å; L437-A480 HydrophobicContact CB-CB 3.98Å; L437-A480 HydrophobicContact CD1-CB 4.16Å; L437-A480 HydrophobicContact CD2-CB 4.22Å; L437-A480 HydrophobicContact CG-CB 4.36Å; L437-I481 HydrophobicContact CD1-CG1 3.99Å; L437-L599 HydrophobicContact CD1-CB 4.25Å; L437-L599 HydrophobicContact CD2-CB 4.2Å; L437-L599 HydrophobicContact CD2-CD1 4.29Å; L437-L599 HydrophobicContact CG-CB 4.27Å; L437-V600 WeakPolarHBondContact CB-O 3.3Å; L437-V600 PolarHBondContact N-O 3.07Å
438	S	82.7	Confident	83.3	Confident	3 Å²	3	44.9 Å²	44.9	2%	0.021	26%	0.257	C	S	.	.			trans	-59	119	-175	179.7	0	0	0	0	112.6	Q440 I441 I442	S438-Q440 PolarHBondContact O-N 3.44Å; S438-Q440 VanDerWaalsContact O-N 3.16Å; S438-Q440 PolarHBondContact OG-N 3.03Å; S438-I441 PolarHBondContact O-N 2.98Å; S438-I442 PolarHBondContact O-N 2.87Å
439	K	77.3	Confident	83.4	Confident	119 Å²	119	42.6 Å²	42.6	52%	0.517	24%	0.242	S	C	.	.	H	α-helix	trans	-58.6	-25.4	172.8	-69.1	-177	-178.3	175.3	0	112.6	L437 G443	L437-K439 PolarHBondContact O-N 3.05Å; K439-G443 WeakPolarHBondContact O-CA 3.22Å; K439-G443 PolarHBondContact O-N 2.78Å
440	Q	72.2	Confident	83.4	Confident	70 Å²	70	44.6 Å²	44.6	33%	0.327	25%	0.246	S	C	.	.	H	α-helix	trans	-67.9	-40.1	-179.3	-54	-174.4	-87.1	0	0	112.3	N278 S438 P444	N278-Q440 HydrophobicContact CB-CG 4.14Å; N278-Q440 VanDerWaalsContact CG-CG 3.47Å; N278-Q440 PolarHBondContact O-NE2 3.44Å; N278-Q440 WeakPolarHBondContact OD1-CG 3.33Å; N278-Q440 PolarHBondContact OD1-NE2 3.24Å; N278-Q440 PolarHBondContact OD1-OE1 2.93Å; S438-Q440 PolarHBondContact O-N 3.44Å; S438-Q440 VanDerWaalsContact O-N 3.16Å; S438-Q440 PolarHBondContact OG-N 3.03Å; Q440-P444 WeakPolarHBondContact O-CD 3.3Å
441	I	76.9	Confident	83.4	Confident	43 Å²	43	51.4 Å²	51.4	22%	0.221	28%	0.278	C	S	.	.	H	α-helix	trans	-78.1	-36.9	-176.7	-62.9	178.5	0	0	0	110.1	S438 P479 A480 E483	S438-I441 PolarHBondContact O-N 2.98Å; I441-P479 HydrophobicContact CG2-CB 3.61Å; I441-P479 HydrophobicContact CG2-CG 4.13Å; I441-A480 HydrophobicContact CB-CB 4.13Å; I441-A480 HydrophobicContact CD1-CB 4.37Å; I441-A480 HydrophobicContact CG2-CB 3.91Å; I441-E483 HydrophobicContact CD1-CB 4.22Å; I441-E483 HydrophobicContact CD1-CG 4.44Å; I441-E483 WeakPolarHBondContact CD1-OE2 3.43Å
442	I	81.1	Confident	83.4	Confident	5 Å²	5	51.6 Å²	51.6	3%	0.026	28%	0.279	C	S	.	.	H	α-helix	trans	-83.2	-36.3	-177.5	-73	155.5	0	0	0	112	L437 S438 R445 L446 V476 A480 A601	L437-I442 HydrophobicContact CB-CD1 3.52Å; L437-I442 HydrophobicContact CD1-CD1 4.33Å; S438-I442 PolarHBondContact O-N 2.87Å; I442-R445 CarbonylContact O-C 3.49Å; I442-R445 WeakPolarHBondContact O-CA 3.25Å; I442-R445 WeakPolarHBondContact O-CB 3.33Å; I442-R445 PolarHBondContact O-N 2.84Å; I442-L446 HydrophobicContact CG2-CD1 4.49Å; I442-L446 PolarHBondContact O-N 2.81Å; I442-V476 HydrophobicContact CB-CG1 4.28Å; I442-V476 HydrophobicContact CG1-CG1 4.35Å; I442-V476 HydrophobicContact CG2-CG1 3.56Å; I442-A480 HydrophobicContact CD1-CB 4Å; I442-A480 HydrophobicContact CG1-CB 4.18Å; I442-A601 HydrophobicContact CD1-CB 3.54Å
443	G	78.5	Confident	83.3	Confident	36 Å²	36	54.1 Å²	54.1	37%	0.371	29%	0.288	S	S	.	.	H	α-helix	trans	-52.8	-50.8	-170.6	0	0	0	0	0	114.7	K439 R445 L446	K439-G443 WeakPolarHBondContact O-CA 3.22Å; K439-G443 PolarHBondContact O-N 2.78Å; G443-R445 PolarHBondContact O-N 2.79Å; G443-R445 VanDerWaalsContact O-N 3.07Å; G443-L446 WeakPolarHBondContact O-CB 3.29Å; G443-L446 PolarHBondContact O-N 3.49Å
444	P	78.2	Confident	83.2	Confident	114 Å²	114	59.3 Å²	59.3	74%	0.74	31%	0.307	S	S	*	.	H	α-helix	trans	-58.9	-22.6	176.7	-25.3	34.8	0	0	0	113.9	Q440	Q440-P444 WeakPolarHBondContact O-CD 3.3Å
445	R	80.2	Confident	82.9	Confident	87 Å²	87	63.6 Å²	63.6	33%	0.328	32%	0.322	S	S	.	.	H	α-helix	trans	-99.2	-9.2	-179.1	-53	179.5	177.5	-147.3	-4.8	112.6	I442 G443 G447 S448 Q475 V476	I442-R445 CarbonylContact O-C 3.49Å; I442-R445 WeakPolarHBondContact O-CA 3.25Å; I442-R445 WeakPolarHBondContact O-CB 3.33Å; I442-R445 PolarHBondContact O-N 2.84Å; G443-R445 PolarHBondContact O-N 2.79Å; G443-R445 VanDerWaalsContact O-N 3.07Å; R445-G447 PolarHBondContact O-N 2.84Å; R445-S448 PolarHBondContact O-N 2.82Å; R445-S448 PolarHBondContact O-OG 2.8Å; R445-Q475 PolarHBondContact NH1-O 3.12Å; R445-V476 HydrophobicContact CB-CB 4.41Å; R445-V476 HydrophobicContact CB-CG1 4.06Å; R445-V476 HydrophobicContact CB-CG2 3.96Å
446	L	81.6	Confident	82.5	Confident	50 Å²	50	64 Å²	64	26%	0.262	32%	0.324	S	S	.	.	H	α-helix	trans	-69.4	-23.9	-178.7	-163.2	61.4	0	0	0	112.2	I442 G443 S448 L449 G603 T604	I442-L446 HydrophobicContact CG2-CD1 4.49Å; I442-L446 PolarHBondContact O-N 2.81Å; G443-L446 WeakPolarHBondContact O-CB 3.29Å; G443-L446 PolarHBondContact O-N 3.49Å; L446-S448 VanDerWaalsContact C-N 3.3Å; L446-S448 PolarHBondContact O-N 3.05Å; L446-L449 HydrophobicContact CD1-CB 4.42Å; L446-L449 HydrophobicContact CD1-CD1 3.84Å; L446-L449 WeakPolarHBondContact O-CB 3.31Å; L446-L449 PolarHBondContact O-N 3.3Å; L446-L449 VanDerWaalsContact O-N 3.07Å; L446-G603 VanDerWaalsContact CD1-O 3.3Å; L446-G603 WeakPolarHBondContact CD1-O 3.43Å; L446-T604 HydrophobicContact CD1-CG2 4.2Å
447	G	80.3	Confident	82.1	Confident	42 Å²	42	68.2 Å²	68.2	43%	0.433	34%	0.343	S	S	.	.	H	α-helix	trans	-56.6	-40.8	175.6	0	0	0	0	0	112.9	R445 L449 Q450	R445-G447 PolarHBondContact O-N 2.84Å; G447-L449 PolarHBondContact O-N 3.31Å; G447-Q450 PolarHBondContact O-N 3.46Å
448	S	79	Confident	81.8	Confident	69 Å²	69	74.6 Å²	74.6	48%	0.483	38%	0.377	S	S	.	.	H	α-helix	trans	-68	-18.3	178.6	66	0	0	0	0	113.4	R445 L446	R445-S448 PolarHBondContact O-N 2.82Å; R445-S448 PolarHBondContact O-OG 2.8Å; L446-S448 VanDerWaalsContact C-N 3.3Å; L446-S448 PolarHBondContact O-N 3.05Å
449	L	84	Confident	81.8	Confident	2 Å²	2	75.8 Å²	75.8	1%	0.01	39%	0.385	C	S	.	.	H	α-helix	trans	-86.4	-16	177.6	-69.9	176.3	0	0	0	113.2	L446 G447 E451 I452 R453 F469 E472 V476 T604	L446-L449 HydrophobicContact CD1-CB 4.42Å; L446-L449 HydrophobicContact CD1-CD1 3.84Å; L446-L449 WeakPolarHBondContact O-CB 3.31Å; L446-L449 PolarHBondContact O-N 3.3Å; L446-L449 VanDerWaalsContact O-N 3.07Å; G447-L449 PolarHBondContact O-N 3.31Å; L449-E451 PolarHBondContact O-N 3.2Å; L449-I452 PolarHBondContact O-N 2.77Å; L449-R453 WeakPolarHBondContact O-CB 3.37Å; L449-R453 PolarHBondContact O-N 2.82Å; L449-F469 HydrophobicContact CB-CE2 4.42Å; L449-F469 HydrophobicContact CD2-CD2 4.05Å; L449-F469 HydrophobicContact CD2-CE2 4.07Å; L449-E472 HydrophobicContact CD2-CB 3.4Å; L449-E472 VanDerWaalsContact CD2-CB 3.4Å; L449-V476 HydrophobicContact CD1-CB 4.07Å; L449-V476 HydrophobicContact CD1-CG1 4.07Å; L449-V476 HydrophobicContact CD1-CG2 3.73Å; L449-V476 HydrophobicContact CD2-CG2 4.41Å; L449-V476 HydrophobicContact CG-CG2 3.92Å; L449-T604 HydrophobicContact CD1-CG2 3.88Å
450	Q	83.1	Confident	81.8	Confident	107 Å²	107	80.3 Å²	80.3	50%	0.5	40%	0.404	S	S	.	.	H	α-helix	trans	-62.9	-44.7	-173.2	-66.9	-175.5	2.6	0	0	112.4	G447 R453 R454	G447-Q450 PolarHBondContact O-N 3.46Å; Q450-R453 PolarHBondContact O-N 3.37Å; Q450-R454 WeakPolarHBondContact O-CG 3.25Å; Q450-R454 PolarHBondContact O-N 2.97Å
451	E	84.2	Confident	82.1	Confident	155 Å²	155	84.4 Å²	84.4	72%	0.724	42%	0.417	S	S	*	.	H	α-helix	trans	-64.4	-44.5	178.5	-66.4	179.4	-177.2	0	0	111.5	L449 R453 R454 F455	L449-E451 PolarHBondContact O-N 3.2Å; E451-R453 VanDerWaalsContact C-N 3.34Å; E451-R454 PolarHBondContact O-N 3.49Å; E451-F455 WeakPolarHBondContact O-CB 3.33Å; E451-F455 PolarHBondContact O-N 2.84Å
452	I	85.3	Confident	82	Confident	39 Å²	39	86.7 Å²	86.7	20%	0.2	43%	0.428	C	S	.	.	H	α-helix	trans	-67.7	-38.3	-179.9	-60.1	173.7	0	0	0	110.8	L449 F455 Y456 F469 E472	L449-I452 PolarHBondContact O-N 2.77Å; I452-F455 PolarHBondContact O-N 2.75Å; I452-Y456 WeakPolarHBondContact O-CB 3.36Å; I452-Y456 PolarHBondContact O-N 3.32Å; I452-F469 HydrophobicContact CG2-CB 3.69Å; I452-F469 HydrophobicContact CG2-CD2 3.96Å; I452-F469 HydrophobicContact CG2-CG 4.11Å; I452-E472 HydrophobicContact CD1-CB 4.07Å; I452-E472 HydrophobicContact CD1-CG 3.48Å; I452-E472 VanDerWaalsContact CD1-CG 3.48Å
453	R	85.6	Confident	81.8	Confident	94 Å²	94	91.1 Å²	91.1	36%	0.355	45%	0.448	S	S	.	.	H	α-helix	trans	-63.2	-47.5	174.3	178.5	177.8	173	174	0.1	111.2	L449 Q450 E451 F455 Y456 E457 F469	L449-R453 WeakPolarHBondContact O-CB 3.37Å; L449-R453 PolarHBondContact O-N 2.82Å; Q450-R453 PolarHBondContact O-N 3.37Å; E451-R453 VanDerWaalsContact C-N 3.34Å; R453-F455 VanDerWaalsContact C-N 3.31Å; R453-F455 PolarHBondContact O-N 3.49Å; R453-Y456 WeakPolarHBondContact O-CB 3.41Å; R453-Y456 PolarHBondContact O-N 3.37Å; R453-E457 HydrophobicContact CG-CG 4.43Å; R453-E457 WeakPolarHBondContact CG-OE1 3.36Å; R453-E457 IonicContact CZ-OE1 3.52Å; R453-E457 IonicContact NE-OE1 2.8Å; R453-E457 PolarHBondContact NE-OE1 3.06Å; R453-E457 IonicContact NH2-OE1 3.32Å; R453-E457 PolarHBondContact NH2-OE1 2.91Å; R453-E457 WeakPolarHBondContact O-CB 3.34Å; R453-E457 WeakPolarHBondContact O-CG 3.18Å; R453-E457 PolarHBondContact O-N 2.85Å; R453-F469 HydrophobicContact CB-CE2 4.28Å; R453-F469 HydrophobicContact CB-CZ 4.11Å; R453-F469 HydrophobicContact CG-CZ 4.26Å
454	R	86.1	Confident	81.9	Confident	156 Å²	156	94.5 Å²	94.5	59%	0.589	45%	0.454	S	S	*	.	H	α-helix	trans	-60.6	-42.1	175.1	-73.5	175.4	-174.9	174.4	3.7	111.6	Q450 E451 Y456 E457 N458	Q450-R454 WeakPolarHBondContact O-CG 3.25Å; Q450-R454 PolarHBondContact O-N 2.97Å; E451-R454 PolarHBondContact O-N 3.49Å; R454-Y456 VanDerWaalsContact C-N 3.33Å; R454-E457 PolarHBondContact O-N 3.4Å; R454-N458 WeakPolarHBondContact O-CB 3.27Å; R454-N458 PolarHBondContact O-N 2.51Å; R454-N458 PolarHBondContact O-ND2 3.49Å
455	F	85.5	Confident	82.1	Confident	130 Å²	130	89.2 Å²	89.2	57%	0.57	42%	0.42	S	S	*	.	H	α-helix	trans	-61.2	-43.3	175.4	177.8	-98	0	0	0	111.7	E451 I452 R453 N458 S459 A465	E451-F455 WeakPolarHBondContact O-CB 3.33Å; E451-F455 PolarHBondContact O-N 2.84Å; I452-F455 PolarHBondContact O-N 2.75Å; R453-F455 VanDerWaalsContact C-N 3.31Å; R453-F455 PolarHBondContact O-N 3.49Å; F455-N458 PolarHBondContact O-N 3.43Å; F455-S459 WeakPolarHBondContact O-CB 3.38Å; F455-S459 PolarHBondContact O-N 2.77Å; F455-S459 VanDerWaalsContact O-N 3.1Å; F455-A465 HydrophobicContact CD1-CB 4.17Å; F455-A465 HydrophobicContact CE1-CB 3.91Å
456	Y	84.4	Confident	82.4	Confident	11 Å²	11	85.5 Å²	85.5	4%	0.043	41%	0.407	C	S	.	.	H	α-helix	trans	-62.7	-49.1	175.1	173.6	-98	0	0	0	112.3	I452 R453 R454 N458 S459 M462 A465 L466 F469 Q608	I452-Y456 WeakPolarHBondContact O-CB 3.36Å; I452-Y456 PolarHBondContact O-N 3.32Å; R453-Y456 WeakPolarHBondContact O-CB 3.41Å; R453-Y456 PolarHBondContact O-N 3.37Å; R454-Y456 VanDerWaalsContact C-N 3.33Å; Y456-N458 PolarHBondContact O-N 2.93Å; Y456-S459 PolarHBondContact O-N 2.86Å; Y456-S459 VanDerWaalsContact O-N 3.17Å; Y456-M462 HydrophobicContact CE1-CE 3.93Å; Y456-M462 HydrophobicContact CE2-CE 4.1Å; Y456-M462 WeakPolarHBondContact CE2-O 3.19Å; Y456-M462 WeakPolarHBondContact OH-CE 3.35Å; Y456-A465 HydrophobicContact CD2-CB 3.91Å; Y456-L466 HydrophobicContact CD2-CB 4.33Å; Y456-L466 HydrophobicContact CD2-CD1 4.5Å; Y456-L466 HydrophobicContact CE2-CB 3.83Å; Y456-L466 HydrophobicContact CE2-CD1 3.86Å; Y456-L466 HydrophobicContact CE2-CG 4.4Å; Y456-F469 HydrophobicContact CD1-CD1 4.17Å; Y456-F469 HydrophobicContact CD1-CE1 4.29Å; Y456-F469 HydrophobicContact CD2-CD1 4.45Å; Y456-F469 HydrophobicContact CG-CD1 4.01Å; Y456-Q608 HydrophobicContact CE1-CG 4.04Å
457	E	85	Confident	82.6	Confident	98 Å²	98	87 Å²	87	46%	0.458	41%	0.414	S	S	.	.	H	α-helix	trans	-61.7	-30.6	179.8	-72.9	170.1	176.8	0	0	112.5	R453 R454	R453-E457 HydrophobicContact CG-CG 4.43Å; R453-E457 WeakPolarHBondContact CG-OE1 3.36Å; R453-E457 IonicContact CZ-OE1 3.52Å; R453-E457 IonicContact NE-OE1 2.8Å; R453-E457 PolarHBondContact NE-OE1 3.06Å; R453-E457 IonicContact NH2-OE1 3.32Å; R453-E457 PolarHBondContact NH2-OE1 2.91Å; R453-E457 WeakPolarHBondContact O-CB 3.34Å; R453-E457 WeakPolarHBondContact O-CG 3.18Å; R453-E457 PolarHBondContact O-N 2.85Å; R454-E457 PolarHBondContact O-N 3.4Å
458	N	86.5	Confident	83	Confident	137 Å²	137	88 Å²	88	73%	0.733	41%	0.414	S	S	*	.	H	α-helix	trans	-91.5	-7.3	178.1	-69.7	-29.2	0	0	0	114.5	R454 F455 Y456	R454-N458 WeakPolarHBondContact O-CB 3.27Å; R454-N458 PolarHBondContact O-N 2.51Å; R454-N458 PolarHBondContact O-ND2 3.49Å; F455-N458 PolarHBondContact O-N 3.43Å; Y456-N458 PolarHBondContact O-N 2.93Å
459	S	83.4	Confident	83.5	Confident	27 Å²	27	84.9 Å²	84.9	19%	0.189	39%	0.391	C	S	.	.			trans	-80.8	129.2	-174.9	-178	0	0	0	0	111.9	F455 Y456 R461 M462	F455-S459 WeakPolarHBondContact O-CB 3.38Å; F455-S459 PolarHBondContact O-N 2.77Å; F455-S459 VanDerWaalsContact O-N 3.1Å; Y456-S459 PolarHBondContact O-N 2.86Å; Y456-S459 VanDerWaalsContact O-N 3.17Å; S459-R461 PolarHBondContact O-N 2.92Å; S459-R461 PolarHBondContact OG-N 3.12Å; S459-R461 VanDerWaalsContact OG-N 3.13Å; S459-R461 PolarHBondContact OG-O 3.29Å; S459-M462 VanDerWaalsContact O-SD 3.38Å
460	K	77.5	Confident	83.9	Confident	214 Å²	214	85 Å²	85	93%	0.93	39%	0.392	S	S	*	.	S	Bend	trans	-68.8	-24.4	168.4	-65.2	-175.3	179.7	-177.9	0	112.4
461	R	78.2	Confident	84.3	Confident	157 Å²	157	87.4 Å²	87.4	59%	0.592	40%	0.396	S	S	*	.			trans	-101.6	79.4	178.9	-67.1	-171.2	-179.1	-175.1	1.2	109.7	S459 H463 E464 A465	S459-R461 PolarHBondContact O-N 2.92Å; S459-R461 PolarHBondContact OG-N 3.12Å; S459-R461 VanDerWaalsContact OG-N 3.13Å; S459-R461 PolarHBondContact OG-O 3.29Å; R461-H463 VanDerWaalsContact C-N 3.3Å; R461-H463 PolarHBondContact O-N 3.17Å; R461-E464 HydrophobicContact CB-CB 4.34Å; R461-E464 WeakPolarHBondContact CD-OE2 3.36Å; R461-E464 IonicContact NH1-OE1 3.09Å; R461-E464 PolarHBondContact NH1-OE1 3.42Å; R461-E464 VanDerWaalsContact NH1-OE1 3.09Å; R461-E464 IonicContact NH1-OE2 3.18Å; R461-E464 PolarHBondContact NH1-OE2 3Å; R461-E464 PolarHBondContact O-N 2.91Å; R461-A465 PolarHBondContact O-N 3.1Å
462	M	75.1	Confident	84.6	Confident	91 Å²	91	83 Å²	83	45%	0.448	38%	0.376	S	S	.	.	H	α-helix	trans	-54.8	-43.3	-174.7	-62.8	-62.1	-76.9	0	0	112.8	Y456 S459 L466	Y456-M462 HydrophobicContact CE1-CE 3.93Å; Y456-M462 HydrophobicContact CE2-CE 4.1Å; Y456-M462 WeakPolarHBondContact CE2-O 3.19Å; Y456-M462 WeakPolarHBondContact OH-CE 3.35Å; S459-M462 VanDerWaalsContact O-SD 3.38Å; M462-L466 WeakPolarHBondContact O-CB 3.4Å; M462-L466 PolarHBondContact O-N 3.47Å
463	H	75.5	Confident	85	Confident	98 Å²	98	81.3 Å²	81.3	45%	0.454	37%	0.367	S	S	.	.	H	α-helix	trans	-67.8	-43.3	-175.9	-170.6	66.5	0	0	0	113.3	R461 L466	R461-H463 VanDerWaalsContact C-N 3.3Å; R461-H463 PolarHBondContact O-N 3.17Å; H463-L466 WeakPolarHBondContact O-CB 3.36Å; H463-L466 PolarHBondContact O-N 3.28Å
464	E	80.1	Confident	85.3	Confident	106 Å²	106	77 Å²	77	50%	0.495	35%	0.352	S	S	.	.	H	α-helix	trans	-66	-40.4	179.4	-70	176	-172.2	0	0	111.2	R461 L466 P468	R461-E464 HydrophobicContact CB-CB 4.34Å; R461-E464 WeakPolarHBondContact CD-OE2 3.36Å; R461-E464 IonicContact NH1-OE1 3.09Å; R461-E464 PolarHBondContact NH1-OE1 3.42Å; R461-E464 VanDerWaalsContact NH1-OE1 3.09Å; R461-E464 IonicContact NH1-OE2 3.18Å; R461-E464 PolarHBondContact NH1-OE2 3Å; R461-E464 PolarHBondContact O-N 2.91Å; E464-L466 VanDerWaalsContact C-N 3.32Å; E464-L466 PolarHBondContact O-N 3.21Å; E464-P468 WeakPolarHBondContact O-CD 3.35Å
465	A	83	Confident	85.6	Confident	3 Å²	3	72.6 Å²	72.6	3%	0.025	34%	0.338	C	S	.	.	H	α-helix	trans	-72.2	-24.6	177.6	0	0	0	0	0	113.2	F455 Y456 R461 P468	F455-A465 HydrophobicContact CD1-CB 4.17Å; F455-A465 HydrophobicContact CE1-CB 3.91Å; Y456-A465 HydrophobicContact CD2-CB 3.91Å; R461-A465 PolarHBondContact O-N 3.1Å; A465-P468 WeakPolarHBondContact O-CD 3.39Å
466	L	85.9	Confident	86	Confident	9 Å²	9	66.6 Å²	66.6	5%	0.047	31%	0.311	C	S	.	.	H	α-helix	trans	-68.2	-33.4	177.8	-173.4	60.4	0	0	0	112.3	Y456 M462 H463 E464 F469 Y470 A605 L609	Y456-L466 HydrophobicContact CD2-CB 4.33Å; Y456-L466 HydrophobicContact CD2-CD1 4.5Å; Y456-L466 HydrophobicContact CE2-CB 3.83Å; Y456-L466 HydrophobicContact CE2-CD1 3.86Å; Y456-L466 HydrophobicContact CE2-CG 4.4Å; M462-L466 WeakPolarHBondContact O-CB 3.4Å; M462-L466 PolarHBondContact O-N 3.47Å; H463-L466 WeakPolarHBondContact O-CB 3.36Å; H463-L466 PolarHBondContact O-N 3.28Å; E464-L466 VanDerWaalsContact C-N 3.32Å; E464-L466 PolarHBondContact O-N 3.21Å; L466-F469 PolarHBondContact O-N 3.31Å; L466-Y470 WeakPolarHBondContact O-CB 3.46Å; L466-Y470 PolarHBondContact O-N 2.88Å; L466-A605 HydrophobicContact CD1-CB 4.49Å; L466-L609 HydrophobicContact CD1-CD2 4.43Å; L466-L609 HydrophobicContact CD2-CD2 4.03Å
467	L	87.8	Confident	86.4	Confident	81 Å²	81	66.1 Å²	66.1	42%	0.424	31%	0.31	S	S	.	.	H	α-helix	trans	-64.1	-48.8	-174.1	-68.6	173.3	0	0	0	113.3	F469 Y470 R471 W573	L467-F469 VanDerWaalsContact C-N 3.33Å; L467-F469 PolarHBondContact O-N 3.31Å; L467-Y470 PolarHBondContact O-N 2.92Å; L467-R471 PolarHBondContact O-N 2.94Å; L467-W573 HydrophobicContact CD2-CH2 4.12Å; L467-W573 HydrophobicContact CD2-CZ3 4.36Å
468	P	87.8	Confident	86.9	Confident	64 Å²	64	62.3 Å²	62.3	42%	0.416	29%	0.292	S	S	.	.	H	α-helix	trans	-59.9	-42.5	171.4	-23.6	33.5	0	0	0	112.4	E464 A465 Y470 R471 E472	E464-P468 WeakPolarHBondContact O-CD 3.35Å; A465-P468 WeakPolarHBondContact O-CD 3.39Å; P468-Y470 VanDerWaalsContact C-N 3.32Å; P468-Y470 PolarHBondContact O-N 2.67Å; P468-R471 PolarHBondContact O-N 3.21Å; P468-E472 PolarHBondContact O-N 3.08Å
469	F	90.1	Very high	87.2	Confident	3 Å²	3	57.3 Å²	57.3	1%	0.013	27%	0.268	C	S	.	.	H	α-helix	trans	-63.3	-40	-179.3	-171.9	-156.3	0	0	0	112.4	L449 I452 R453 Y456 L466 L467 T473 T604 A605	L449-F469 HydrophobicContact CB-CE2 4.42Å; L449-F469 HydrophobicContact CD2-CD2 4.05Å; L449-F469 HydrophobicContact CD2-CE2 4.07Å; I452-F469 HydrophobicContact CG2-CB 3.69Å; I452-F469 HydrophobicContact CG2-CD2 3.96Å; I452-F469 HydrophobicContact CG2-CG 4.11Å; R453-F469 HydrophobicContact CB-CE2 4.28Å; R453-F469 HydrophobicContact CB-CZ 4.11Å; R453-F469 HydrophobicContact CG-CZ 4.26Å; Y456-F469 HydrophobicContact CD1-CD1 4.17Å; Y456-F469 HydrophobicContact CD1-CE1 4.29Å; Y456-F469 HydrophobicContact CD2-CD1 4.45Å; Y456-F469 HydrophobicContact CG-CD1 4.01Å; L466-F469 PolarHBondContact O-N 3.31Å; L467-F469 VanDerWaalsContact C-N 3.33Å; L467-F469 PolarHBondContact O-N 3.31Å; F469-T473 VanDerWaalsContact O-CB 3.31Å; F469-T473 WeakPolarHBondContact O-CB 3.41Å; F469-T473 PolarHBondContact O-N 3.24Å; F469-T473 PolarHBondContact O-OG1 3.32Å; F469-T604 VanDerWaalsContact CZ-C 3.4Å; F469-A605 HydrophobicContact CD1-CB 3.65Å; F469-A605 HydrophobicContact CD2-CB 4.21Å; F469-A605 VanDerWaalsContact CE1-CA 3.4Å; F469-A605 HydrophobicContact CE1-CB 3.75Å; F469-A605 HydrophobicContact CE2-CB 4.28Å; F469-A605 HydrophobicContact CG-CB 3.89Å; F469-A605 HydrophobicContact CZ-CB 4.07Å
470	Y	91.3	Very high	87.7	Confident	6 Å²	6	56.1 Å²	56.1	2%	0.024	26%	0.259	C	S	.	.	H	α-helix	trans	-65.7	-42.5	175.8	-179.3	-122.8	0	0	0	112.2	L466 L467 P468 T473 A474 H500 H501 L571 W573 L609	L466-Y470 WeakPolarHBondContact O-CB 3.46Å; L466-Y470 PolarHBondContact O-N 2.88Å; L467-Y470 PolarHBondContact O-N 2.92Å; P468-Y470 VanDerWaalsContact C-N 3.32Å; P468-Y470 PolarHBondContact O-N 2.67Å; Y470-T473 WeakPolarHBondContact O-CB 3.42Å; Y470-T473 PolarHBondContact O-N 3.14Å; Y470-A474 PolarHBondContact O-N 3.38Å; Y470-A474 VanDerWaalsContact O-N 3.13Å; Y470-H500 HydrophobicContact CE1-CB 4.44Å; Y470-H500 AromaticContact CE1-CD2 3.53Å; Y470-H500 WeakPolarHBondContact OH-CB 3.44Å; Y470-H501 AromaticContact CD1-CE1 3.45Å; Y470-H501 VanDerWaalsContact CD1-CE1 3.45Å; Y470-H501 WeakPolarHBondContact CD1-CE1 3.44Å; Y470-H501 AromaticContact CD1-NE2 3.97Å; Y470-H501 AromaticContact CE1-CE1 3.35Å; Y470-H501 WeakPolarHBondContact CE1-CE1 3.35Å; Y470-H501 AromaticContact CZ-CE1 3.93Å; Y470-L571 WeakPolarHBondContact CE2-O 3.44Å; Y470-L571 VanDerWaalsContact CZ-O 3.26Å; Y470-L571 PolarHBondContact OH-O 3.17Å; Y470-W573 AromaticContact CD1-CZ3 3.83Å; Y470-W573 HydrophobicContact CD1-CZ3 3.83Å; Y470-W573 HydrophobicContact CE1-CE3 4.42Å; Y470-W573 AromaticContact CE1-CZ3 3.7Å; Y470-W573 HydrophobicContact CE1-CZ3 3.7Å; Y470-L609 HydrophobicContact CD2-CD1 3.85Å; Y470-L609 HydrophobicContact CE2-CD1 4.1Å
471	R	91.7	Very high	88.6	Confident	157 Å²	157	45.9 Å²	45.9	59%	0.592	22%	0.215	S	C	*	.	H	α-helix	trans	-62	-46	175.8	-179.2	-177.4	-70.6	-172.3	-1.6	112.3	L467 P468 T473 A474 Q475	L467-R471 PolarHBondContact O-N 2.94Å; P468-R471 PolarHBondContact O-N 3.21Å; R471-T473 VanDerWaalsContact C-N 3.34Å; R471-A474 WeakPolarHBondContact O-CB 3.47Å; R471-A474 PolarHBondContact O-N 3.43Å; R471-Q475 PolarHBondContact O-N 2.97Å
472	E	90.7	Very high	89.4	Confident	63 Å²	63	41 Å²	41	29%	0.294	20%	0.2	S	C	.	.	H	α-helix	trans	-70.1	-34.2	178.8	-69.4	-56.1	131	0	0	111.9	L449 I452 P468 A474 Q475 V476	L449-E472 HydrophobicContact CD2-CB 3.4Å; L449-E472 VanDerWaalsContact CD2-CB 3.4Å; I452-E472 HydrophobicContact CD1-CB 4.07Å; I452-E472 HydrophobicContact CD1-CG 3.48Å; I452-E472 VanDerWaalsContact CD1-CG 3.48Å; P468-E472 PolarHBondContact O-N 3.08Å; E472-A474 PolarHBondContact O-N 3.32Å; E472-Q475 PolarHBondContact O-N 3.24Å; E472-Q475 VanDerWaalsContact O-N 3.12Å; E472-V476 WeakPolarHBondContact O-CG2 3.34Å; E472-V476 PolarHBondContact O-N 3.16Å
473	T	93.1	Very high	90.3	Very high	2 Å²	2	39.2 Å²	39.2	1%	0.012	19%	0.19	C	C	.	.	H	α-helix	trans	-55.7	-41.6	171.5	-65.8	0	0	0	0	111.3	F469 Y470 R471 Q475 V476 K477 T604 A605	F469-T473 VanDerWaalsContact O-CB 3.31Å; F469-T473 WeakPolarHBondContact O-CB 3.41Å; F469-T473 PolarHBondContact O-N 3.24Å; F469-T473 PolarHBondContact O-OG1 3.32Å; Y470-T473 WeakPolarHBondContact O-CB 3.42Å; Y470-T473 PolarHBondContact O-N 3.14Å; R471-T473 VanDerWaalsContact C-N 3.34Å; T473-Q475 PolarHBondContact O-N 2.81Å; T473-V476 PolarHBondContact O-N 3.4Å; T473-K477 HydrophobicContact CG2-CD 3.69Å; T473-K477 HydrophobicContact CG2-CG 4.28Å; T473-K477 WeakPolarHBondContact O-CB 3.42Å; T473-K477 VanDerWaalsContact O-CG 3.28Å; T473-K477 WeakPolarHBondContact O-CG 3.47Å; T473-K477 PolarHBondContact O-N 3.11Å; T473-T604 HydrophobicContact CG2-CG2 4.33Å; T473-T604 WeakPolarHBondContact CG2-OG1 3.36Å; T473-A605 HydrophobicContact CG2-CB 4.3Å; T473-A605 VanDerWaalsContact OG1-CB 3.23Å; T473-A605 WeakPolarHBondContact OG1-CB 3.4Å; T473-A605 PolarHBondContact OG1-N 3.16Å; T473-A605 VanDerWaalsContact OG1-N 3.07Å
474	A	93.5	Very high	91.2	Very high	4 Å²	4	35.1 Å²	35.1	3%	0.033	17%	0.171	C	C	.	.	H	α-helix	trans	-60.4	-44.2	176	0	0	0	0	0	112.8	Y470 R471 E472 V476 K477 L478 H501 I504 E570	Y470-A474 PolarHBondContact O-N 3.38Å; Y470-A474 VanDerWaalsContact O-N 3.13Å; R471-A474 WeakPolarHBondContact O-CB 3.47Å; R471-A474 PolarHBondContact O-N 3.43Å; E472-A474 PolarHBondContact O-N 3.32Å; A474-V476 PolarHBondContact O-N 3.06Å; A474-K477 PolarHBondContact O-N 3.02Å; A474-L478 PolarHBondContact O-N 3.34Å; A474-H501 HydrophobicContact CB-CB 4.36Å; A474-H501 WeakPolarHBondContact CB-ND1 3.39Å; A474-I504 HydrophobicContact CB-CD1 3.65Å; A474-E570 WeakPolarHBondContact CB-OE1 3.42Å
475	Q	92.4	Very high	92	Very high	64 Å²	64	30 Å²	30	30%	0.299	15%	0.147	S	C	.	.	H	α-helix	trans	-65.1	-39.1	178.4	-64.7	-65.2	-11.6	0	0	112.7	R445 R471 E472 T473	R445-Q475 PolarHBondContact NH1-O 3.12Å; R471-Q475 PolarHBondContact O-N 2.97Å; E472-Q475 PolarHBondContact O-N 3.24Å; E472-Q475 VanDerWaalsContact O-N 3.12Å; T473-Q475 PolarHBondContact O-N 2.81Å
476	V	92.5	Very high	92.5	Very high	3 Å²	3	30.8 Å²	30.8	2%	0.018	15%	0.152	C	C	.	.	H	α-helix	trans	-69.1	-41.5	178.9	168.7	0	0	0	0	111.3	I442 R445 L449 E472 T473 A474 P479	I442-V476 HydrophobicContact CB-CG1 4.28Å; I442-V476 HydrophobicContact CG1-CG1 4.35Å; I442-V476 HydrophobicContact CG2-CG1 3.56Å; R445-V476 HydrophobicContact CB-CB 4.41Å; R445-V476 HydrophobicContact CB-CG1 4.06Å; R445-V476 HydrophobicContact CB-CG2 3.96Å; L449-V476 HydrophobicContact CD1-CB 4.07Å; L449-V476 HydrophobicContact CD1-CG1 4.07Å; L449-V476 HydrophobicContact CD1-CG2 3.73Å; L449-V476 HydrophobicContact CD2-CG2 4.41Å; L449-V476 HydrophobicContact CG-CG2 3.92Å; E472-V476 WeakPolarHBondContact O-CG2 3.34Å; E472-V476 PolarHBondContact O-N 3.16Å; T473-V476 PolarHBondContact O-N 3.4Å; A474-V476 PolarHBondContact O-N 3.06Å; V476-P479 WeakPolarHBondContact O-CD 3.38Å
477	K	93.9	Very high	92.7	Very high	2 Å²	2	32.7 Å²	32.7	1%	0.009	16%	0.162	C	C	.	.	H	α-helix	trans	-72.5	-26.6	179.1	-71.5	175.3	70.1	174.8	0	113.7	L437 T473 A474 P479 A480 I481 A569 L599 A601 D606	L437-K477 HydrophobicContact CD1-CB 4.12Å; L437-K477 HydrophobicContact CD1-CD 4.38Å; L437-K477 VanDerWaalsContact CD1-CE 3.49Å; L437-K477 HydrophobicContact CD1-CG 4.07Å; T473-K477 HydrophobicContact CG2-CD 3.69Å; T473-K477 HydrophobicContact CG2-CG 4.28Å; T473-K477 WeakPolarHBondContact O-CB 3.42Å; T473-K477 VanDerWaalsContact O-CG 3.28Å; T473-K477 WeakPolarHBondContact O-CG 3.47Å; T473-K477 PolarHBondContact O-N 3.11Å; A474-K477 PolarHBondContact O-N 3.02Å; K477-P479 VanDerWaalsContact C-CD 3.45Å; K477-P479 VanDerWaalsContact O-N 3.15Å; K477-A480 PolarHBondContact O-N 3.28Å; K477-I481 HydrophobicContact CB-CD1 3.65Å; K477-I481 HydrophobicContact CB-CG1 4.1Å; K477-I481 WeakPolarHBondContact O-CG1 3.21Å; K477-I481 PolarHBondContact O-N 3.46Å; K477-A569 PolarHBondContact NZ-O 3.01Å; K477-L599 PolarHBondContact NZ-O 2.75Å; K477-A601 HydrophobicContact CD-CB 4.08Å; K477-A601 HydrophobicContact CG-CB 3.74Å; K477-D606 VanDerWaalsContact CD-OD2 3.28Å; K477-D606 WeakPolarHBondContact CD-OD2 3.47Å; K477-D606 VanDerWaalsContact CE-OD2 3.24Å; K477-D606 WeakPolarHBondContact CE-OD2 3.22Å; K477-D606 IonicContact NZ-OD1 3.46Å; K477-D606 PolarHBondContact NZ-OD1 2.91Å; K477-D606 IonicContact NZ-OD2 2.73Å; K477-D606 PolarHBondContact NZ-OD2 2.94Å
478	L	94.4	Very high	92.8	Very high	17 Å²	17	29.1 Å²	29.1	9%	0.089	14%	0.144	C	C	.	.	H	α-helix	trans	-44.1	-50.7	-169.4	177.7	65.7	0	0	0	114.9	A474 A480 I481 I482 V503 I504 A507	A474-L478 PolarHBondContact O-N 3.34Å; L478-A480 PolarHBondContact O-N 3.28Å; L478-I481 PolarHBondContact O-N 3.17Å; L478-I482 HydrophobicContact CD1-CD1 4.15Å; L478-I482 HydrophobicContact CD1-CG1 4.44Å; L478-I482 HydrophobicContact CG-CD1 4.14Å; L478-I482 WeakPolarHBondContact O-CG1 3.35Å; L478-I482 PolarHBondContact O-N 3.48Å; L478-V503 HydrophobicContact CD2-CG1 4.19Å; L478-I504 HydrophobicContact CD1-CB 4.44Å; L478-I504 HydrophobicContact CD1-CG1 3.82Å; L478-A507 HydrophobicContact CD1-CB 3.58Å; L478-A507 HydrophobicContact CD2-CB 4.46Å; L478-A507 HydrophobicContact CG-CB 4.49Å
479	P	93.4	Very high	93	Very high	33 Å²	33	26.3 Å²	26.3	21%	0.214	13%	0.125	C	C	.	.	H	α-helix	trans	-71.7	-31.6	-176.8	-6.1	21.3	0	0	0	112.8	I441 V476 K477 I482 E483	I441-P479 HydrophobicContact CG2-CB 3.61Å; I441-P479 HydrophobicContact CG2-CG 4.13Å; V476-P479 WeakPolarHBondContact O-CD 3.38Å; K477-P479 VanDerWaalsContact C-CD 3.45Å; K477-P479 VanDerWaalsContact O-N 3.15Å; P479-I482 PolarHBondContact O-N 2.84Å; P479-E483 PolarHBondContact O-N 3.48Å
480	A	93.8	Very high	92.9	Very high	1 Å²	1	30.6 Å²	30.6	1%	0.008	15%	0.148	C	C	.	.	H	α-helix	trans	-72.6	-34	176.4	0	0	0	0	0	111.3	L437 I441 I442 K477 L478 E483 Y484	L437-A480 HydrophobicContact CB-CB 3.98Å; L437-A480 HydrophobicContact CD1-CB 4.16Å; L437-A480 HydrophobicContact CD2-CB 4.22Å; L437-A480 HydrophobicContact CG-CB 4.36Å; I441-A480 HydrophobicContact CB-CB 4.13Å; I441-A480 HydrophobicContact CD1-CB 4.37Å; I441-A480 HydrophobicContact CG2-CB 3.91Å; I442-A480 HydrophobicContact CD1-CB 4Å; I442-A480 HydrophobicContact CG1-CB 4.18Å; K477-A480 PolarHBondContact O-N 3.28Å; L478-A480 PolarHBondContact O-N 3.28Å; A480-E483 PolarHBondContact O-N 3.42Å; A480-Y484 WeakPolarHBondContact O-CB 3.3Å; A480-Y484 PolarHBondContact O-N 3.2Å
481	I	96.2	Very high	92.5	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-62	-46.4	170.1	-65.9	167.2	0	0	0	109.8	L437 K477 L478 E483 Y484 I485 I504 L508 A569 L599	L437-I481 HydrophobicContact CD1-CG1 3.99Å; K477-I481 HydrophobicContact CB-CD1 3.65Å; K477-I481 HydrophobicContact CB-CG1 4.1Å; K477-I481 WeakPolarHBondContact O-CG1 3.21Å; K477-I481 PolarHBondContact O-N 3.46Å; L478-I481 PolarHBondContact O-N 3.17Å; I481-E483 VanDerWaalsContact C-N 3.34Å; I481-E483 PolarHBondContact O-N 3.5Å; I481-Y484 PolarHBondContact O-N 3.16Å; I481-I485 HydrophobicContact CG2-CG1 4.06Å; I481-I485 WeakPolarHBondContact O-CB 3.22Å; I481-I485 VanDerWaalsContact O-CG1 3.24Å; I481-I485 WeakPolarHBondContact O-CG1 3.47Å; I481-I485 PolarHBondContact O-N 3.25Å; I481-I504 HydrophobicContact CD1-CD1 3.95Å; I481-L508 HydrophobicContact CG2-CD2 4.12Å; I481-A569 HydrophobicContact CD1-CB 4.3Å; I481-A569 WeakPolarHBondContact CD1-O 3.09Å; I481-A569 HydrophobicContact CG2-CB 3.96Å; I481-L599 HydrophobicContact CG1-CD1 4.22Å; I481-L599 HydrophobicContact CG2-CD1 4.33Å
482	I	95.6	Very high	92.1	Very high	55 Å²	55	24.9 Å²	24.9	28%	0.282	14%	0.14	S	C	.	.	H	α-helix	trans	-59	-45.5	178.4	-71.9	168.2	0	0	0	111.2	L478 P479 S486 A507 L511	L478-I482 HydrophobicContact CD1-CD1 4.15Å; L478-I482 HydrophobicContact CD1-CG1 4.44Å; L478-I482 HydrophobicContact CG-CD1 4.14Å; L478-I482 WeakPolarHBondContact O-CG1 3.35Å; L478-I482 PolarHBondContact O-N 3.48Å; P479-I482 PolarHBondContact O-N 2.84Å; I482-S486 WeakPolarHBondContact O-CB 3.21Å; I482-S486 PolarHBondContact O-N 3.22Å; I482-A507 HydrophobicContact CD1-CB 4.28Å; I482-L511 HydrophobicContact CG2-CD1 4.12Å; I482-L511 HydrophobicContact CG2-CD2 4.15Å
483	E	93.5	Very high	91.7	Very high	53 Å²	53	23.1 Å²	23.1	25%	0.248	13%	0.131	C	C	.	.	H	α-helix	trans	-59.2	-52.4	176.8	-172.4	-169	-145.4	0	0	111.2	S252 I441 P479 A480 I481 I485 S486 D487	S252-E483 WeakPolarHBondContact CB-OE1 3.19Å; I441-E483 HydrophobicContact CD1-CB 4.22Å; I441-E483 HydrophobicContact CD1-CG 4.44Å; I441-E483 WeakPolarHBondContact CD1-OE2 3.43Å; P479-E483 PolarHBondContact O-N 3.48Å; A480-E483 PolarHBondContact O-N 3.42Å; I481-E483 VanDerWaalsContact C-N 3.34Å; I481-E483 PolarHBondContact O-N 3.5Å; E483-I485 PolarHBondContact O-N 3.41Å; E483-S486 WeakPolarHBondContact O-CB 3.48Å; E483-S486 PolarHBondContact O-N 2.79Å; E483-D487 PolarHBondContact O-N 3.31Å
484	Y	94.9	Very high	91.6	Very high	11 Å²	11	25 Å²	25	4%	0.043	14%	0.139	C	C	.	.	H	α-helix	trans	-61.3	-45.8	-178.6	-176.4	-98.5	0	0	0	112.8	V254 V435 A480 I481 S486 D487 L488 V567 E597 L599	V254-Y484 HydrophobicContact CG1-CD2 4.42Å; V254-Y484 HydrophobicContact CG1-CE2 3.96Å; V435-Y484 HydrophobicContact CG1-CD2 3.93Å; V435-Y484 HydrophobicContact CG1-CE2 3.54Å; V435-Y484 HydrophobicContact CG2-CE2 4.46Å; A480-Y484 WeakPolarHBondContact O-CB 3.3Å; A480-Y484 PolarHBondContact O-N 3.2Å; I481-Y484 PolarHBondContact O-N 3.16Å; Y484-S486 VanDerWaalsContact C-N 3.31Å; Y484-S486 PolarHBondContact O-N 2.67Å; Y484-D487 PolarHBondContact O-N 3.38Å; Y484-L488 HydrophobicContact CD1-CD1 4.09Å; Y484-L488 HydrophobicContact CD1-CG 4.43Å; Y484-L488 HydrophobicContact CE1-CD1 3.51Å; Y484-L488 HydrophobicContact CE1-CG 3.99Å; Y484-L488 PolarHBondContact O-N 3.19Å; Y484-L488 VanDerWaalsContact O-N 3.11Å; Y484-V567 HydrophobicContact CE1-CG1 4.2Å; Y484-E597 VanDerWaalsContact OH-CD 3.24Å; Y484-E597 PolarHBondContact OH-OE1 2.98Å; Y484-E597 PolarHBondContact OH-OE2 3.25Å; Y484-L599 HydrophobicContact CD1-CD1 3.75Å; Y484-L599 HydrophobicContact CD1-CD2 3.59Å; Y484-L599 HydrophobicContact CD1-CG 4.34Å; Y484-L599 HydrophobicContact CE1-CD1 4.39Å; Y484-L599 HydrophobicContact CE1-CD2 3.49Å; Y484-L599 VanDerWaalsContact CE1-CD2 3.49Å; Y484-L599 HydrophobicContact CG-CD1 4.41Å; Y484-L599 HydrophobicContact CG-CD2 4.24Å
485	I	95.7	Very high	91.7	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-67.5	-34.5	178.4	-63.5	-62.5	0	0	0	110.8	I481 E483 D487 L488 V489 F495 V497 L508 L511 F512 V567	I481-I485 HydrophobicContact CG2-CG1 4.06Å; I481-I485 WeakPolarHBondContact O-CB 3.22Å; I481-I485 VanDerWaalsContact O-CG1 3.24Å; I481-I485 WeakPolarHBondContact O-CG1 3.47Å; I481-I485 PolarHBondContact O-N 3.25Å; E483-I485 PolarHBondContact O-N 3.41Å; I485-D487 VanDerWaalsContact C-N 3.35Å; I485-L488 HydrophobicContact CD1-CD1 4.25Å; I485-L488 PolarHBondContact O-N 3.28Å; I485-V489 HydrophobicContact CG2-CG2 4.41Å; I485-V489 VanDerWaalsContact O-CG2 3.28Å; I485-V489 WeakPolarHBondContact O-CG2 3.48Å; I485-V489 PolarHBondContact O-N 3.36Å; I485-F495 HydrophobicContact CD1-CE2 4.1Å; I485-F495 HydrophobicContact CG2-CE2 4.23Å; I485-F495 HydrophobicContact CG2-CZ 3.95Å; I485-V497 HydrophobicContact CD1-CG2 4.07Å; I485-L508 HydrophobicContact CB-CD2 4.05Å; I485-L508 HydrophobicContact CG1-CD2 3.92Å; I485-L508 HydrophobicContact CG2-CD2 4Å; I485-L511 HydrophobicContact CB-CD2 4.21Å; I485-L511 HydrophobicContact CG2-CD2 3.99Å; I485-F512 HydrophobicContact CG2-CE1 3.56Å; I485-F512 HydrophobicContact CG2-CZ 3.8Å; I485-V567 HydrophobicContact CD1-CG1 4.01Å
486	S	93.8	Very high	91.8	Very high	18 Å²	18	21.8 Å²	21.8	13%	0.126	12%	0.123	C	C	.	.	H	α-helix	trans	-60.2	-45.2	172.7	179.5	0	0	0	0	111.3	I482 E483 Y484 L488 V489 D490 K515	I482-S486 WeakPolarHBondContact O-CB 3.21Å; I482-S486 PolarHBondContact O-N 3.22Å; E483-S486 WeakPolarHBondContact O-CB 3.48Å; E483-S486 PolarHBondContact O-N 2.79Å; Y484-S486 VanDerWaalsContact C-N 3.31Å; Y484-S486 PolarHBondContact O-N 2.67Å; S486-L488 VanDerWaalsContact C-N 3.33Å; S486-L488 PolarHBondContact O-N 3.13Å; S486-V489 PolarHBondContact O-N 3.37Å; S486-D490 WeakPolarHBondContact O-CB 3.5Å; S486-D490 VanDerWaalsContact O-CG 3.31Å; S486-D490 PolarHBondContact O-N 3.03Å; S486-K515 WeakPolarHBondContact OG-CE 3.14Å; S486-K515 PolarHBondContact OG-NZ 3.31Å; S486-K515 VanDerWaalsContact OG-NZ 3.15Å
487	D	90.2	Very high	91.9	Very high	49 Å²	49	21.7 Å²	21.7	26%	0.262	12%	0.123	S	C	.	.	H	α-helix	trans	-61.1	-40.9	177.1	-73.8	-16.3	0	0	0	111.7	P251 S253 E483 Y484 I485 V489 D490 A491	P251-D487 WeakPolarHBondContact CB-OD2 3.34Å; S253-D487 VanDerWaalsContact CB-OD2 3.3Å; S253-D487 WeakPolarHBondContact CB-OD2 3.34Å; S253-D487 PolarHBondContact OG-OD2 3.18Å; E483-D487 PolarHBondContact O-N 3.31Å; Y484-D487 PolarHBondContact O-N 3.38Å; I485-D487 VanDerWaalsContact C-N 3.35Å; D487-V489 PolarHBondContact O-N 2.67Å; D487-D490 PolarHBondContact O-N 2.8Å; D487-A491 WeakPolarHBondContact O-CB 3.38Å; D487-A491 PolarHBondContact O-N 2.92Å
488	L	91.1	Very high	92	Very high	7 Å²	7	21.6 Å²	21.6	4%	0.037	12%	0.122	C	C	.	.	H	α-helix	trans	-63.8	-39.7	175.4	-72	-176.7	0	0	0	112.9	Y484 I485 S486 K493 F495 L565 V567	Y484-L488 HydrophobicContact CD1-CD1 4.09Å; Y484-L488 HydrophobicContact CD1-CG 4.43Å; Y484-L488 HydrophobicContact CE1-CD1 3.51Å; Y484-L488 HydrophobicContact CE1-CG 3.99Å; Y484-L488 PolarHBondContact O-N 3.19Å; Y484-L488 VanDerWaalsContact O-N 3.11Å; I485-L488 HydrophobicContact CD1-CD1 4.25Å; I485-L488 PolarHBondContact O-N 3.28Å; S486-L488 VanDerWaalsContact C-N 3.33Å; S486-L488 PolarHBondContact O-N 3.13Å; L488-K493 HydrophobicContact CD2-CD 4.02Å; L488-K493 PolarHBondContact O-N 3.14Å; L488-F495 HydrophobicContact CB-CD1 4.39Å; L488-F495 HydrophobicContact CB-CE1 3.99Å; L488-F495 HydrophobicContact CB-CZ 4.27Å; L488-L565 HydrophobicContact CD1-CD2 4.45Å; L488-L565 HydrophobicContact CD2-CD2 4.28Å; L488-V567 HydrophobicContact CD1-CG2 3.77Å
489	V	92.3	Very high	92	Very high	5 Å²	5	20.8 Å²	20.8	3%	0.03	12%	0.118	C	C	.	.	H	α-helix	trans	-66	-45.3	176.8	167.5	0	0	0	0	111.3	I485 S486 D487 A491 G492 F495 F512 K515 V517 V546	I485-V489 HydrophobicContact CG2-CG2 4.41Å; I485-V489 VanDerWaalsContact O-CG2 3.28Å; I485-V489 WeakPolarHBondContact O-CG2 3.48Å; I485-V489 PolarHBondContact O-N 3.36Å; S486-V489 PolarHBondContact O-N 3.37Å; D487-V489 PolarHBondContact O-N 2.67Å; V489-A491 VanDerWaalsContact C-N 3.3Å; V489-A491 PolarHBondContact O-N 3.01Å; V489-G492 PolarHBondContact O-N 3.48Å; V489-F495 HydrophobicContact CG2-CE1 3.97Å; V489-F495 HydrophobicContact CG2-CZ 3.93Å; V489-F512 HydrophobicContact CG2-CD1 4.1Å; V489-F512 HydrophobicContact CG2-CE1 3.88Å; V489-K515 HydrophobicContact CG1-CB 4.31Å; V489-V517 HydrophobicContact CG1-CB 4.42Å; V489-V517 HydrophobicContact CG1-CG2 3.55Å; V489-V546 HydrophobicContact CG2-CG2 4.45Å
490	D	87.4	Confident	92.1	Very high	92 Å²	92	21.5 Å²	21.5	49%	0.492	12%	0.118	S	C	.	.	H	α-helix	trans	-66.9	-33.3	-179.9	-72.1	-19.4	0	0	0	111.5	S486 D487 G492 K515	S486-D490 WeakPolarHBondContact O-CB 3.5Å; S486-D490 VanDerWaalsContact O-CG 3.31Å; S486-D490 PolarHBondContact O-N 3.03Å; D487-D490 PolarHBondContact O-N 2.8Å; D490-G492 PolarHBondContact O-N 3.42Å; D490-K515 IonicContact OD1-NZ 3Å; D490-K515 PolarHBondContact OD1-NZ 3.44Å; D490-K515 IonicContact OD2-NZ 3.68Å; D490-K515 PolarHBondContact OD2-NZ 2.95Å
491	A	82.5	Confident	92.1	Very high	5 Å²	5	23 Å²	23	4%	0.041	13%	0.125	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.1	-7.8	173	0	0	0	0	0	113.6	D487 V489 K493	D487-A491 WeakPolarHBondContact O-CB 3.38Å; D487-A491 PolarHBondContact O-N 2.92Å; V489-A491 VanDerWaalsContact C-N 3.3Å; V489-A491 PolarHBondContact O-N 3.01Å; A491-K493 HydrophobicContact CB-CD 3.98Å; A491-K493 VanDerWaalsContact CB-CE 3.45Å; A491-K493 HydrophobicContact CB-CG 4.2Å
492	G	83.5	Confident	92	Very high	38 Å²	38	27.1 Å²	27.1	39%	0.392	14%	0.144	S	C	.	.	T	Hydrogen-bonded Turn	trans	89.9	9.3	169.9	0	0	0	0	0	115.6	V489 D490 R545	V489-G492 PolarHBondContact O-N 3.48Å; D490-G492 PolarHBondContact O-N 3.42Å; G492-R545 VanDerWaalsContact CA-NH1 3.33Å
493	K	82.4	Confident	92	Very high	26 Å²	26	27.6 Å²	27.6	11%	0.113	15%	0.15	C	C	.	.			trans	-82.5	151.1	-164.2	-60.8	166.2	-174.8	176.7	0	112.2	M225 E319 L488 A491	M225-K493 HydrophobicContact CE-CD 3.66Å; M225-K493 VanDerWaalsContact CE-CE 3.48Å; M225-K493 HydrophobicContact SD-CD 3.45Å; M225-K493 WeakPolarHBondContact SD-CD 3.28Å; M225-K493 WeakPolarHBondContact SD-CE 3.35Å; M225-K493 HydrophobicContact SD-CG 4.04Å; M225-K493 PolarHBondContact SD-NZ 3.02Å; E319-K493 IonicContact OE1-NZ 3.93Å; E319-K493 PolarHBondContact OE1-NZ 3.14Å; L488-K493 HydrophobicContact CD2-CD 4.02Å; L488-K493 PolarHBondContact O-N 3.14Å; A491-K493 HydrophobicContact CB-CD 3.98Å; A491-K493 VanDerWaalsContact CB-CE 3.45Å; A491-K493 HydrophobicContact CB-CG 4.2Å
494	K	91.2	Very high	92.1	Very high	43 Å²	43	25.1 Å²	25.1	19%	0.187	14%	0.138	C	C	.	.			trans	-97.6	115.1	170	-174.7	164.8	-174.8	166.7	0	109.9	F538 S541 V544 R545 S563	K494-F538 WeakPolarHBondContact CE-O 3.27Å; K494-F538 HydrophobicContact CG-CE2 3.99Å; K494-F538 HydrophobicContact CG-CZ 4.05Å; K494-F538 PolarHBondContact NZ-O 3.31Å; K494-S541 PolarHBondContact NZ-O 3.46Å; K494-V544 VanDerWaalsContact CE-O 3.23Å; K494-V544 WeakPolarHBondContact CE-O 3.45Å; K494-V544 PolarHBondContact NZ-O 2.81Å; K494-R545 CarbonylContact C-O 3.29Å; K494-R545 WeakPolarHBondContact CA-O 3.38Å; K494-R545 WeakPolarHBondContact CG-O 3.45Å; K494-S563 WeakPolarHBondContact O-CB 3.29Å; K494-S563 PolarHBondContact O-OG 3.31Å
495	F	94	Very high	92.1	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	157.8	-171.3	67.5	-85.3	0	0	0	113.3	I485 L488 V489 V497 F512 R545 V546 A547 S563 L565 V567	I485-F495 HydrophobicContact CD1-CE2 4.1Å; I485-F495 HydrophobicContact CG2-CE2 4.23Å; I485-F495 HydrophobicContact CG2-CZ 3.95Å; L488-F495 HydrophobicContact CB-CD1 4.39Å; L488-F495 HydrophobicContact CB-CE1 3.99Å; L488-F495 HydrophobicContact CB-CZ 4.27Å; V489-F495 HydrophobicContact CG2-CE1 3.97Å; V489-F495 HydrophobicContact CG2-CZ 3.93Å; F495-V497 HydrophobicContact CD2-CB 4.26Å; F495-V497 HydrophobicContact CE2-CB 4.06Å; F495-V497 HydrophobicContact CE2-CG1 4.16Å; F495-F512 HydrophobicContact CZ-CE1 4.38Å; F495-R545 PolarHBondContact N-O 2.82Å; F495-V546 HydrophobicContact CD1-CG2 4.27Å; F495-V546 HydrophobicContact CD2-CG1 4.33Å; F495-V546 HydrophobicContact CE1-CG2 3.62Å; F495-V546 HydrophobicContact CE2-CG1 3.79Å; F495-V546 HydrophobicContact CE2-CG2 4.37Å; F495-V546 HydrophobicContact CZ-CB 4.44Å; F495-V546 HydrophobicContact CZ-CG1 3.89Å; F495-V546 HydrophobicContact CZ-CG2 3.66Å; F495-V546 WeakPolarHBondContact O-CA 3.35Å; F495-A547 PolarHBondContact O-N 2.67Å; F495-A547 VanDerWaalsContact O-N 3.09Å; F495-S563 VanDerWaalsContact CA-OG 3.23Å; F495-S563 WeakPolarHBondContact CA-OG 3.46Å; F495-L565 WeakPolarHBondContact CA-O 3.15Å; F495-L565 HydrophobicContact CB-CB 4.01Å; F495-L565 HydrophobicContact CB-CD2 3.89Å; F495-L565 HydrophobicContact CB-CG 3.86Å; F495-V567 HydrophobicContact CD2-CG2 4.31Å
496	I	94.6	Very high	92.2	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	134.7	170.9	-62.2	160.2	0	0	0	107.4	F498 F538 A547 L549 L560 L565 V566 V567 A585	I496-F498 HydrophobicContact CG2-CD2 3.98Å; I496-F498 HydrophobicContact CG2-CE2 3.54Å; I496-F498 HydrophobicContact CG2-CZ 3.92Å; I496-F538 HydrophobicContact CD1-CE1 4.48Å; I496-F538 HydrophobicContact CG1-CE1 4.09Å; I496-F538 HydrophobicContact CG1-CZ 3.92Å; I496-A547 CarbonylContact C-O 3.55Å; I496-A547 WeakPolarHBondContact CA-O 3.46Å; I496-A547 HydrophobicContact CG1-CB 4.17Å; I496-L549 HydrophobicContact CG2-CD1 3.4Å; I496-L560 HydrophobicContact CD1-CB 3.65Å; I496-L560 HydrophobicContact CD1-CD1 4.3Å; I496-L560 WeakPolarHBondContact CD1-O 3.3Å; I496-L560 HydrophobicContact CG1-CB 4.38Å; I496-L560 HydrophobicContact CG1-CD1 4.5Å; I496-L565 PolarHBondContact N-O 2.92Å; I496-V566 HydrophobicContact CB-CG2 4.45Å; I496-V566 HydrophobicContact CD1-CG2 4.28Å; I496-V566 CarbonylContact O-C 3.53Å; I496-V566 WeakPolarHBondContact O-CA 3.47Å; I496-V567 PolarHBondContact O-N 3Å; I496-A585 HydrophobicContact CD1-CB 3.83Å
497	V	95.7	Very high	92.3	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	126.3	173.6	56.4	0	0	0	0	110.2	I485 F495 L508 F512 V546 A547 L548 L549 V567 A569	I485-V497 HydrophobicContact CD1-CG2 4.07Å; F495-V497 HydrophobicContact CD2-CB 4.26Å; F495-V497 HydrophobicContact CE2-CB 4.06Å; F495-V497 HydrophobicContact CE2-CG1 4.16Å; V497-L508 HydrophobicContact CG2-CD1 3.93Å; V497-F512 HydrophobicContact CG1-CZ 4.26Å; V497-V546 HydrophobicContact CG1-CG1 3.9Å; V497-A547 PolarHBondContact N-O 3.44Å; V497-L548 HydrophobicContact CG1-CB 4.14Å; V497-L548 HydrophobicContact CG1-CD1 3.68Å; V497-L548 WeakPolarHBondContact O-CA 3.36Å; V497-L549 PolarHBondContact O-N 3.19Å; V497-V567 CarbonylContact C-O 3.31Å; V497-V567 VanDerWaalsContact CA-O 3.25Å; V497-V567 WeakPolarHBondContact CA-O 3.26Å; V497-A569 HydrophobicContact CG2-CB 4.1Å
498	F	95.4	Very high	92.7	Very high	1 Å²	1	26 Å²	26	0%	0.004	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	132	176.2	-72.4	-79.4	0	0	0	110.8	I496 L549 I551 V566 V567 F568 A569 A581	I496-F498 HydrophobicContact CG2-CD2 3.98Å; I496-F498 HydrophobicContact CG2-CE2 3.54Å; I496-F498 HydrophobicContact CG2-CZ 3.92Å; F498-L549 VanDerWaalsContact CA-O 3.29Å; F498-L549 WeakPolarHBondContact CA-O 3.28Å; F498-L549 HydrophobicContact CD1-CB 3.44Å; F498-L549 VanDerWaalsContact CD1-CB 3.44Å; F498-L549 HydrophobicContact CD1-CD1 4.24Å; F498-L549 HydrophobicContact CD1-CG 4.47Å; F498-L549 HydrophobicContact CE1-CB 3.44Å; F498-L549 VanDerWaalsContact CE1-CB 3.44Å; F498-L549 HydrophobicContact CE1-CD1 3.51Å; F498-L549 HydrophobicContact CE1-CG 4.06Å; F498-L549 HydrophobicContact CE2-CD1 4.39Å; F498-L549 HydrophobicContact CG-CB 4.34Å; F498-L549 HydrophobicContact CZ-CB 4.34Å; F498-L549 HydrophobicContact CZ-CD1 3.6Å; F498-I551 HydrophobicContact CB-CG1 3.85Å; F498-V566 HydrophobicContact CD2-CG1 3.58Å; F498-V566 HydrophobicContact CE2-CG1 3.54Å; F498-V567 PolarHBondContact N-O 3.35Å; F498-F568 HydrophobicContact CB-CD1 3.6Å; F498-F568 HydrophobicContact CB-CE1 3.79Å; F498-F568 HydrophobicContact CB-CG 4.38Å; F498-F568 HydrophobicContact CD2-CD1 4.21Å; F498-F568 AromaticContact CD2-CE1 3.75Å; F498-F568 HydrophobicContact CD2-CE1 3.75Å; F498-F568 HydrophobicContact CD2-CE2 4.42Å; F498-F568 AromaticContact CD2-CZ 3.88Å; F498-F568 HydrophobicContact CD2-CZ 3.88Å; F498-F568 HydrophobicContact CE2-CZ 4.31Å; F498-F568 HydrophobicContact CG-CD1 4.16Å; F498-F568 AromaticContact CG-CE1 3.83Å; F498-F568 HydrophobicContact CG-CE1 3.83Å; F498-F568 HydrophobicContact CG-CZ 4.42Å; F498-A569 WeakPolarHBondContact O-CB 3.49Å; F498-A569 PolarHBondContact O-N 3.49Å; F498-A581 HydrophobicContact CD1-CB 4.31Å; F498-A581 HydrophobicContact CD2-CB 4.46Å; F498-A581 HydrophobicContact CE1-CB 3.91Å; F498-A581 HydrophobicContact CE2-CB 4.07Å; F498-A581 HydrophobicContact CZ-CB 3.79Å; F498-A581 WeakPolarHBondContact CZ-O 3.26Å
499	A	95.7	Very high	92.9	Very high	0 Å²	0	28 Å²	28	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	158.9	170.9	0	0	0	0	0	111	I504 M505 L549 S550 I551 A569	A499-I504 HydrophobicContact CB-CB 4.28Å; A499-I504 HydrophobicContact CB-CG2 3.65Å; A499-M505 HydrophobicContact CB-CG 4.08Å; A499-M505 HydrophobicContact CB-SD 3.73Å; A499-L549 PolarHBondContact N-O 3.14Å; A499-S550 CarbonylContact O-C 3.6Å; A499-S550 WeakPolarHBondContact O-CA 3.43Å; A499-I551 PolarHBondContact O-N 3.34Å; A499-A569 HydrophobicContact CB-CB 4.29Å
500	H	94	Very high	93.2	Very high	48 Å²	48	30.8 Å²	30.8	22%	0.222	18%	0.18	C	C	.	.	S	Bend	trans	-101.3	-53.8	178.9	-174.7	73.7	0	0	0	111.3	Y470 I551 E570 F572	Y470-H500 HydrophobicContact CE1-CB 4.44Å; Y470-H500 AromaticContact CE1-CD2 3.53Å; Y470-H500 WeakPolarHBondContact OH-CB 3.44Å; H500-I551 HydrophobicContact CB-CD1 4.13Å; H500-E570 WeakPolarHBondContact CA-OE2 3.3Å; H500-E570 PolarHBondContact N-OE2 3.44Å; H500-F572 AromaticContact CE1-CE2 3.77Å; H500-F572 AromaticContact ND1-CE2 3.77Å
501	H	94.8	Very high	93.6	Very high	32 Å²	32	27.3 Å²	27.3	15%	0.148	16%	0.161	C	C	.	.	S	Bend	trans	-80	136.2	-173	-67.3	97.9	0	0	0	111.5	Y470 A474 V503 I504 M505 E570	Y470-H501 AromaticContact CD1-CE1 3.45Å; Y470-H501 VanDerWaalsContact CD1-CE1 3.45Å; Y470-H501 WeakPolarHBondContact CD1-CE1 3.44Å; Y470-H501 AromaticContact CD1-NE2 3.97Å; Y470-H501 AromaticContact CE1-CE1 3.35Å; Y470-H501 WeakPolarHBondContact CE1-CE1 3.35Å; Y470-H501 AromaticContact CZ-CE1 3.93Å; A474-H501 HydrophobicContact CB-CB 4.36Å; A474-H501 WeakPolarHBondContact CB-ND1 3.39Å; H501-V503 PolarHBondContact O-N 3.02Å; H501-I504 PolarHBondContact O-N 3.19Å; H501-M505 PolarHBondContact O-N 3.3Å; H501-M505 VanDerWaalsContact O-N 3.14Å; H501-E570 IonicContact CE1-OE1 3.34Å; H501-E570 IonicContact CG-OE1 2.63Å; H501-E570 PolarHBondContact N-OE2 2.9Å; H501-E570 IonicContact ND1-OE1 3.24Å; H501-E570 PolarHBondContact ND1-OE1 3.03Å; H501-E570 IonicContact ND1-OE2 3.67Å
502	Q	93.7	Very high	94.2	Very high	87 Å²	87	27.3 Å²	27.3	41%	0.407	16%	0.16	S	C	.	.	H	α-helix	trans	-58.2	-34.4	178	-66.4	-60.5	-34.4	0	0	112.2	I504 M505 D506	Q502-I504 VanDerWaalsContact C-N 3.29Å; Q502-I504 PolarHBondContact O-N 3.49Å; Q502-M505 WeakPolarHBondContact O-CB 3.46Å; Q502-M505 PolarHBondContact O-N 3.49Å; Q502-M505 VanDerWaalsContact O-N 3.14Å; Q502-D506 WeakPolarHBondContact O-CB 3.4Å; Q502-D506 PolarHBondContact O-N 3.14Å
503	V	94.7	Very high	94.8	Very high	65 Å²	65	28.9 Å²	28.9	39%	0.394	17%	0.17	S	C	.	.	H	α-helix	trans	-57.2	-42.3	176.7	-179.7	0	0	0	0	111.8	L478 H501 A507	L478-V503 HydrophobicContact CD2-CG1 4.19Å; H501-V503 PolarHBondContact O-N 3.02Å; V503-A507 VanDerWaalsContact O-CB 3.3Å; V503-A507 WeakPolarHBondContact O-CB 3.45Å; V503-A507 PolarHBondContact O-N 2.88Å; V503-A507 VanDerWaalsContact O-N 3.13Å
504	I	96.5	Very high	95.5	Very high	1 Å²	1	31.8 Å²	31.8	1%	0.005	19%	0.193	C	C	.	.	H	α-helix	trans	-72.3	-42.7	177	-71.7	167.7	0	0	0	110.5	A474 L478 I481 A499 H501 Q502 D506 A507 L508 A569 E570	A474-I504 HydrophobicContact CB-CD1 3.65Å; L478-I504 HydrophobicContact CD1-CB 4.44Å; L478-I504 HydrophobicContact CD1-CG1 3.82Å; I481-I504 HydrophobicContact CD1-CD1 3.95Å; A499-I504 HydrophobicContact CB-CB 4.28Å; A499-I504 HydrophobicContact CB-CG2 3.65Å; H501-I504 PolarHBondContact O-N 3.19Å; Q502-I504 VanDerWaalsContact C-N 3.29Å; Q502-I504 PolarHBondContact O-N 3.49Å; I504-D506 VanDerWaalsContact C-N 3.35Å; I504-D506 PolarHBondContact O-N 2.96Å; I504-A507 PolarHBondContact O-N 3.35Å; I504-L508 HydrophobicContact CG2-CD1 3.86Å; I504-L508 HydrophobicContact CG2-CG 4.23Å; I504-L508 WeakPolarHBondContact O-CB 3.48Å; I504-L508 VanDerWaalsContact O-CG 3.29Å; I504-L508 WeakPolarHBondContact O-CG 3.43Å; I504-L508 PolarHBondContact O-N 3.35Å; I504-A569 HydrophobicContact CG2-CB 4.32Å; I504-E570 HydrophobicContact CD1-CG 3.54Å; I504-E570 WeakPolarHBondContact CD1-OE1 3.14Å; I504-E570 WeakPolarHBondContact CD1-OE2 3.36Å
505	M	95.6	Very high	95.6	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-58	-45.5	177	-65.3	-77.3	-70.4	0	0	112	A499 H501 Q502 S509 R521 D523 L548	A499-M505 HydrophobicContact CB-CG 4.08Å; A499-M505 HydrophobicContact CB-SD 3.73Å; H501-M505 PolarHBondContact O-N 3.3Å; H501-M505 VanDerWaalsContact O-N 3.14Å; Q502-M505 WeakPolarHBondContact O-CB 3.46Å; Q502-M505 PolarHBondContact O-N 3.49Å; Q502-M505 VanDerWaalsContact O-N 3.14Å; M505-S509 WeakPolarHBondContact O-CB 3.24Å; M505-S509 PolarHBondContact O-N 2.93Å; M505-R521 HydrophobicContact CE-CG 4.06Å; M505-D523 HydrophobicContact CE-CB 4.25Å; M505-L548 HydrophobicContact CB-CD2 4.4Å; M505-L548 HydrophobicContact CE-CD1 4.17Å; M505-L548 HydrophobicContact CE-CD2 4.11Å; M505-L548 HydrophobicContact CE-CG 3.65Å; M505-L548 VanDerWaalsContact O-CD2 3.3Å; M505-L548 WeakPolarHBondContact O-CD2 3.28Å; M505-L548 HydrophobicContact SD-CD1 3.46Å; M505-L548 WeakPolarHBondContact SD-CD1 3.34Å; M505-L548 HydrophobicContact SD-CD2 4.15Å; M505-L548 HydrophobicContact SD-CG 3.65Å
506	D	96.7	Very high	95.5	Very high	74 Å²	74	42.4 Å²	42.4	40%	0.396	24%	0.239	S	C	.	.	H	α-helix	trans	-67.6	-41.9	-179.6	-66.7	-26.5	0	0	0	111.7	Q502 I504 S509 S510 R521	Q502-D506 WeakPolarHBondContact O-CB 3.4Å; Q502-D506 PolarHBondContact O-N 3.14Å; I504-D506 VanDerWaalsContact C-N 3.35Å; I504-D506 PolarHBondContact O-N 2.96Å; D506-S509 PolarHBondContact O-N 3.1Å; D506-S510 WeakPolarHBondContact O-CB 3.42Å; D506-S510 PolarHBondContact O-N 2.79Å; D506-S510 PolarHBondContact O-OG 3.21Å; D506-R521 IonicContact OD1-CZ 3.85Å; D506-R521 IonicContact OD1-NH1 2.82Å; D506-R521 PolarHBondContact OD1-NH1 3.24Å; D506-R521 IonicContact OD1-NH2 3.72Å; D506-R521 PolarHBondContact OD1-NH2 2.71Å
507	A	96.9	Very high	95.5	Very high	22 Å²	22	43 Å²	43	18%	0.182	24%	0.243	C	C	.	.	H	α-helix	trans	-65.1	-42.9	176.8	0	0	0	0	0	112.3	L478 I482 V503 I504 S510 L511	L478-A507 HydrophobicContact CD1-CB 3.58Å; L478-A507 HydrophobicContact CD2-CB 4.46Å; L478-A507 HydrophobicContact CG-CB 4.49Å; I482-A507 HydrophobicContact CD1-CB 4.28Å; V503-A507 VanDerWaalsContact O-CB 3.3Å; V503-A507 WeakPolarHBondContact O-CB 3.45Å; V503-A507 PolarHBondContact O-N 2.88Å; V503-A507 VanDerWaalsContact O-N 3.13Å; I504-A507 PolarHBondContact O-N 3.35Å; A507-S510 WeakPolarHBondContact O-CB 3.15Å; A507-S510 PolarHBondContact O-N 2.85Å; A507-L511 PolarHBondContact O-N 3.32Å
508	L	97.5	Very high	95.4	Very high	0 Å²	0	47.8 Å²	47.8	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-64.5	-42	174.7	-71.2	179.1	0	0	0	111.6	I481 I485 V497 I504 S510 L511 F512 L548	I481-L508 HydrophobicContact CG2-CD2 4.12Å; I485-L508 HydrophobicContact CB-CD2 4.05Å; I485-L508 HydrophobicContact CG1-CD2 3.92Å; I485-L508 HydrophobicContact CG2-CD2 4Å; V497-L508 HydrophobicContact CG2-CD1 3.93Å; I504-L508 HydrophobicContact CG2-CD1 3.86Å; I504-L508 HydrophobicContact CG2-CG 4.23Å; I504-L508 WeakPolarHBondContact O-CB 3.48Å; I504-L508 VanDerWaalsContact O-CG 3.29Å; I504-L508 WeakPolarHBondContact O-CG 3.43Å; I504-L508 PolarHBondContact O-N 3.35Å; L508-S510 PolarHBondContact O-N 3.21Å; L508-L511 HydrophobicContact CD2-CD2 4.34Å; L508-L511 WeakPolarHBondContact O-CB 3.5Å; L508-L511 PolarHBondContact O-N 2.86Å; L508-F512 HydrophobicContact CB-CE2 3.96Å; L508-F512 HydrophobicContact CB-CZ 4.21Å; L508-F512 WeakPolarHBondContact O-CD2 3.37Å; L508-F512 WeakPolarHBondContact O-CE2 3.33Å; L508-F512 VanDerWaalsContact O-CG 3.24Å; L508-F512 WeakPolarHBondContact O-CG 3.49Å; L508-F512 PolarHBondContact O-N 2.94Å; L508-L548 HydrophobicContact CB-CD1 4.25Å; L508-L548 HydrophobicContact CB-CD2 4.17Å; L508-L548 HydrophobicContact CD1-CD1 3.77Å
509	S	96.5	Very high	95.4	Very high	48 Å²	48	49.6 Å²	49.6	34%	0.336	28%	0.28	S	S	.	.	H	α-helix	trans	-58.7	-39.4	174	-168.7	0	0	0	0	111.9	M505 D506 F512 A513	M505-S509 WeakPolarHBondContact O-CB 3.24Å; M505-S509 PolarHBondContact O-N 2.93Å; D506-S509 PolarHBondContact O-N 3.1Å; S509-F512 PolarHBondContact O-N 2.84Å; S509-A513 PolarHBondContact O-N 2.89Å; S509-A513 VanDerWaalsContact O-N 3.13Å
510	S	97	Very high	95.4	Very high	65 Å²	65	50.1 Å²	50.1	46%	0.455	28%	0.283	S	S	.	.	H	α-helix	trans	-68.7	-39.9	177.1	-57.5	0	0	0	0	112	D506 A507 L508 A513 S514	D506-S510 WeakPolarHBondContact O-CB 3.42Å; D506-S510 PolarHBondContact O-N 2.79Å; D506-S510 PolarHBondContact O-OG 3.21Å; A507-S510 WeakPolarHBondContact O-CB 3.15Å; A507-S510 PolarHBondContact O-N 2.85Å; L508-S510 PolarHBondContact O-N 3.21Å; S510-A513 PolarHBondContact O-N 3.4Å; S510-S514 PolarHBondContact O-N 3.44Å
511	L	96.5	Very high	95.4	Very high	19 Å²	19	50.8 Å²	50.8	10%	0.099	28%	0.284	C	S	.	.	H	α-helix	trans	-60.4	-44.5	173.8	176.7	66.3	0	0	0	111.8	I482 I485 A507 L508 A513 S514 K515	I482-L511 HydrophobicContact CG2-CD1 4.12Å; I482-L511 HydrophobicContact CG2-CD2 4.15Å; I485-L511 HydrophobicContact CB-CD2 4.21Å; I485-L511 HydrophobicContact CG2-CD2 3.99Å; A507-L511 PolarHBondContact O-N 3.32Å; L508-L511 HydrophobicContact CD2-CD2 4.34Å; L508-L511 WeakPolarHBondContact O-CB 3.5Å; L508-L511 PolarHBondContact O-N 2.86Å; L511-A513 VanDerWaalsContact C-N 3.33Å; L511-A513 PolarHBondContact O-N 3.03Å; L511-S514 PolarHBondContact O-N 3.38Å; L511-S514 PolarHBondContact O-OG 3.04Å; L511-K515 HydrophobicContact CD1-CG 4.24Å; L511-K515 WeakPolarHBondContact O-CB 3.34Å; L511-K515 WeakPolarHBondContact O-CG 3.28Å; L511-K515 PolarHBondContact O-N 3.5Å
512	F	96.5	Very high	95.3	Very high	4 Å²	4	49.3 Å²	49.3	2%	0.018	28%	0.276	C	S	.	.	H	α-helix	trans	-65.9	-38.1	178.5	-56.9	-40.5	0	0	0	111.9	I485 V489 F495 V497 L508 S509 K516 V517 A519 V546 L548	I485-F512 HydrophobicContact CG2-CE1 3.56Å; I485-F512 HydrophobicContact CG2-CZ 3.8Å; V489-F512 HydrophobicContact CG2-CD1 4.1Å; V489-F512 HydrophobicContact CG2-CE1 3.88Å; F495-F512 HydrophobicContact CZ-CE1 4.38Å; V497-F512 HydrophobicContact CG1-CZ 4.26Å; L508-F512 HydrophobicContact CB-CE2 3.96Å; L508-F512 HydrophobicContact CB-CZ 4.21Å; L508-F512 WeakPolarHBondContact O-CD2 3.37Å; L508-F512 WeakPolarHBondContact O-CE2 3.33Å; L508-F512 VanDerWaalsContact O-CG 3.24Å; L508-F512 WeakPolarHBondContact O-CG 3.49Å; L508-F512 PolarHBondContact O-N 2.94Å; S509-F512 PolarHBondContact O-N 2.84Å; F512-K516 PolarHBondContact O-N 3.4Å; F512-K516 VanDerWaalsContact O-N 3.14Å; F512-V517 PolarHBondContact O-N 3.21Å; F512-A519 HydrophobicContact CB-CB 3.97Å; F512-A519 HydrophobicContact CD2-CB 3.56Å; F512-A519 HydrophobicContact CE2-CB 4.31Å; F512-A519 HydrophobicContact CG-CB 3.88Å; F512-V546 HydrophobicContact CD1-CG2 4.42Å; F512-V546 HydrophobicContact CD2-CG1 4.49Å; F512-V546 HydrophobicContact CE1-CB 4.48Å; F512-V546 HydrophobicContact CE1-CG1 4.05Å; F512-V546 HydrophobicContact CE1-CG2 4.18Å; F512-V546 HydrophobicContact CE2-CG1 3.8Å; F512-V546 HydrophobicContact CZ-CB 4.39Å; F512-V546 HydrophobicContact CZ-CG1 3.57Å; F512-L548 HydrophobicContact CE2-CB 4.36Å; F512-L548 HydrophobicContact CE2-CD2 4.46Å
513	A	95.5	Very high	95.2	Very high	72 Å²	72	45.6 Å²	45.6	60%	0.595	26%	0.259	S	S	*	.	H	α-helix	trans	-63.9	-43.9	174.3	0	0	0	0	0	112.2	S509 S510 L511 K516	S509-A513 PolarHBondContact O-N 2.89Å; S509-A513 VanDerWaalsContact O-N 3.13Å; S510-A513 PolarHBondContact O-N 3.4Å; L511-A513 VanDerWaalsContact C-N 3.33Å; L511-A513 PolarHBondContact O-N 3.03Å; A513-K516 PolarHBondContact O-N 3.3Å; A513-K516 VanDerWaalsContact O-N 3.16Å
514	S	95.8	Very high	94.8	Very high	87 Å²	87	45.7 Å²	45.7	61%	0.608	27%	0.274	S	S	*	.	H	α-helix	trans	-66.3	-39.1	179.8	72.6	0	0	0	0	112.6	S510 L511 K516	S510-S514 PolarHBondContact O-N 3.44Å; L511-S514 PolarHBondContact O-N 3.38Å; L511-S514 PolarHBondContact O-OG 3.04Å; S514-K516 PolarHBondContact O-N 2.95Å
515	K	93.9	Very high	94.3	Very high	78 Å²	78	50.6 Å²	50.6	34%	0.339	31%	0.308	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.5	-1.2	175.1	-68.9	-80.1	-170.6	160.7	0	113.7	S486 V489 D490 L511 V517	S486-K515 WeakPolarHBondContact OG-CE 3.14Å; S486-K515 PolarHBondContact OG-NZ 3.31Å; S486-K515 VanDerWaalsContact OG-NZ 3.15Å; V489-K515 HydrophobicContact CG1-CB 4.31Å; D490-K515 IonicContact OD1-NZ 3Å; D490-K515 PolarHBondContact OD1-NZ 3.44Å; D490-K515 IonicContact OD2-NZ 3.68Å; D490-K515 PolarHBondContact OD2-NZ 2.95Å; L511-K515 HydrophobicContact CD1-CG 4.24Å; L511-K515 WeakPolarHBondContact O-CB 3.34Å; L511-K515 WeakPolarHBondContact O-CG 3.28Å; L511-K515 PolarHBondContact O-N 3.5Å; K515-V517 VanDerWaalsContact C-N 3.33Å; K515-V517 HydrophobicContact CB-CG2 3.95Å; K515-V517 WeakPolarHBondContact O-CG2 2.95Å; K515-V517 PolarHBondContact O-N 3.28Å
516	K	93.3	Very high	94	Very high	187 Å²	187	51.6 Å²	51.6	81%	0.813	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.2	44.5	-176.9	-56.4	-179.4	180	-179.3	0	112.8	F512 A513 S514	F512-K516 PolarHBondContact O-N 3.4Å; F512-K516 VanDerWaalsContact O-N 3.14Å; A513-K516 PolarHBondContact O-N 3.3Å; A513-K516 VanDerWaalsContact O-N 3.16Å; S514-K516 PolarHBondContact O-N 2.95Å
517	V	93.4	Very high	93.6	Very high	12 Å²	12	50.4 Å²	50.4	7%	0.073	31%	0.312	C	S	.	.			trans	-109.3	128.7	179.7	-178.2	0	0	0	0	109.8	V489 F512 K515 A519 R545 V546	V489-V517 HydrophobicContact CG1-CB 4.42Å; V489-V517 HydrophobicContact CG1-CG2 3.55Å; F512-V517 PolarHBondContact O-N 3.21Å; K515-V517 VanDerWaalsContact C-N 3.33Å; K515-V517 HydrophobicContact CB-CG2 3.95Å; K515-V517 WeakPolarHBondContact O-CG2 2.95Å; K515-V517 PolarHBondContact O-N 3.28Å; V517-A519 PolarHBondContact O-N 3.31Å; V517-R545 HydrophobicContact CG1-CB 4.2Å; V517-V546 HydrophobicContact CG1-CG2 4.22Å
518	H	94.3	Very high	93.1	Very high	101 Å²	101	53.7 Å²	53.7	47%	0.468	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.3	117.6	176.6	-63.3	-78.4	0	0	0	110	D543 V544 R545	H518-D543 WeakPolarHBondContact CB-O 3.33Å; H518-D543 IonicContact CD2-OD1 2.75Å; H518-D543 PolarHBondContact CD2-OD1 2.96Å; H518-D543 IonicContact CD2-OD2 2.87Å; H518-D543 PolarHBondContact CD2-OD2 2.79Å; H518-D543 IonicContact CE1-OD2 3.45Å; H518-D543 IonicContact CG-OD2 3.95Å; H518-D543 IonicContact NE2-OD1 2.9Å; H518-D543 IonicContact NE2-OD2 3.22Å; H518-D543 PolarHBondContact NE2-OD2 3.04Å; H518-V544 HydrophobicContact CB-CG2 4.28Å; H518-V544 WeakPolarHBondContact O-CA 3.45Å; H518-R545 PolarHBondContact O-N 2.78Å
519	A	95.5	Very high	92.6	Very high	40 Å²	40	59.9 Å²	59.9	33%	0.331	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	143.8	178.7	0	0	0	0	0	110.2	F512 V517 V546	F512-A519 HydrophobicContact CB-CB 3.97Å; F512-A519 HydrophobicContact CD2-CB 3.56Å; F512-A519 HydrophobicContact CE2-CB 4.31Å; F512-A519 HydrophobicContact CG-CB 3.88Å; V517-A519 PolarHBondContact O-N 3.31Å; A519-V546 CarbonylContact C-O 3.46Å; A519-V546 WeakPolarHBondContact CA-O 3.36Å; A519-V546 HydrophobicContact CB-CB 3.85Å; A519-V546 HydrophobicContact CB-CG1 4.47Å
520	I	94.5	Very high	92.3	Very high	10 Å²	10	63.3 Å²	63.3	5%	0.051	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	147.2	167.3	61.2	163.6	0	0	0	109.7	I522 Y534 F538 V544 V546 A547 L548	I520-I522 HydrophobicContact CD1-CD1 4.12Å; I520-Y534 HydrophobicContact CB-CG 4.38Å; I520-Y534 WeakPolarHBondContact CD1-O 3.14Å; I520-Y534 HydrophobicContact CG2-CD1 4.2Å; I520-Y534 HydrophobicContact CG2-CG 4.36Å; I520-F538 HydrophobicContact CD1-CB 3.67Å; I520-F538 HydrophobicContact CD1-CG 4.25Å; I520-F538 HydrophobicContact CG1-CB 4.31Å; I520-V544 HydrophobicContact CG2-CG1 3.91Å; I520-V546 PolarHBondContact N-O 2.86Å; I520-A547 HydrophobicContact CD1-CB 3.81Å; I520-A547 HydrophobicContact CG1-CB 3.7Å; I520-L548 WeakPolarHBondContact O-CB 3.04Å; I520-L548 PolarHBondContact O-N 3.49Å
521	R	94.8	Very high	91.9	Very high	63 Å²	63	61.5 Å²	61.5	24%	0.238	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	126.1	172.3	176.3	-179.5	172.3	159.4	2.5	109.7	M505 D506 D523 L548	M505-R521 HydrophobicContact CE-CG 4.06Å; D506-R521 IonicContact OD1-CZ 3.85Å; D506-R521 IonicContact OD1-NH1 2.82Å; D506-R521 PolarHBondContact OD1-NH1 3.24Å; D506-R521 IonicContact OD1-NH2 3.72Å; D506-R521 PolarHBondContact OD1-NH2 2.71Å; R521-D523 IonicContact CZ-OD2 2.92Å; R521-D523 IonicContact NE-OD2 3.38Å; R521-D523 PolarHBondContact NE-OD2 2.96Å; R521-D523 IonicContact NH2-OD2 2.67Å; R521-D523 PolarHBondContact NH2-OD2 3.33Å; R521-L548 CarbonylContact C-O 3.51Å; R521-L548 VanDerWaalsContact CA-O 3.31Å; R521-L548 WeakPolarHBondContact CA-O 3.24Å; R521-L548 HydrophobicContact CG-CD2 4.33Å
522	I	92.2	Very high	91.5	Very high	0 Å²	0	67.5 Å²	67.5	0%	0	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	114	175.5	-66.9	169.2	0	0	0	108.8	I520 R531 Y534 L548 L549 S550 A553	I520-I522 HydrophobicContact CD1-CD1 4.12Å; I522-R531 HydrophobicContact CG2-CG 4.04Å; I522-Y534 HydrophobicContact CG1-CD2 3.91Å; I522-L548 PolarHBondContact N-O 3.47Å; I522-L549 HydrophobicContact CB-CD2 3.65Å; I522-L549 HydrophobicContact CD1-CD2 4.08Å; I522-L549 HydrophobicContact CG1-CD2 4.41Å; I522-L549 HydrophobicContact CG2-CD2 3.91Å; I522-L549 WeakPolarHBondContact O-CA 3.14Å; I522-S550 PolarHBondContact O-N 3Å; I522-A553 HydrophobicContact CG2-CB 4.39Å
523	D	91	Very high	91.3	Very high	9 Å²	9	71.5 Å²	71.5	5%	0.048	40%	0.4	C	S	.	.			trans	-130.2	-169.3	174.8	59.7	36.7	0	0	0	110.8	M505 R521 S525 V526 R531	M505-D523 HydrophobicContact CE-CB 4.25Å; R521-D523 IonicContact CZ-OD2 2.92Å; R521-D523 IonicContact NE-OD2 3.38Å; R521-D523 PolarHBondContact NE-OD2 2.96Å; R521-D523 IonicContact NH2-OD2 2.67Å; R521-D523 PolarHBondContact NH2-OD2 3.33Å; D523-S525 PolarHBondContact O-N 2.59Å; D523-S525 WeakPolarHBondContact OD1-CB 3.42Å; D523-S525 PolarHBondContact OD1-N 3.18Å; D523-S525 PolarHBondContact OD1-OG 2.82Å; D523-V526 PolarHBondContact O-N 2.87Å; D523-R531 PolarHBondContact O-NH1 3.32Å; D523-R531 PolarHBondContact O-NH2 2.88Å
524	G	86.3	Confident	91.1	Very high	67 Å²	67	71.5 Å²	71.5	69%	0.691	39%	0.385	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.7	-21	-180	0	0	0	0	0	114.6
525	S	87.6	Confident	90.8	Very high	105 Å²	105	67.8 Å²	67.8	73%	0.734	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.9	-14.9	-176.4	74.4	0	0	0	0	114.2	D523	D523-S525 PolarHBondContact O-N 2.59Å; D523-S525 WeakPolarHBondContact OD1-CB 3.42Å; D523-S525 PolarHBondContact OD1-N 3.18Å; D523-S525 PolarHBondContact OD1-OG 2.82Å
526	V	89.1	Confident	90.7	Very high	21 Å²	21	67.6 Å²	67.6	13%	0.127	36%	0.362	C	S	.	.	S	Bend	trans	-79.8	127.2	-175.7	-173.9	0	0	0	0	110.8	D523 K530 R531 Y534	D523-V526 PolarHBondContact O-N 2.87Å; V526-K530 HydrophobicContact CG1-CB 3.63Å; V526-R531 HydrophobicContact CB-CG 4.17Å; V526-R531 HydrophobicContact CG1-CG 3.77Å; V526-R531 PolarHBondContact O-NE 3.23Å; V526-R531 PolarHBondContact O-NH2 2.92Å; V526-Y534 HydrophobicContact CG1-CD2 4.05Å; V526-Y534 HydrophobicContact CG1-CE2 3.79Å
527	S	88.4	Confident	90.7	Very high	49 Å²	49	63.9 Å²	63.9	34%	0.343	35%	0.346	S	S	.	.			trans	-66.3	155.7	176.3	82.2	0	0	0	0	111.9	E529 K530 R531	S527-E529 WeakPolarHBondContact CB-OE2 3.39Å; S527-E529 PolarHBondContact O-N 2.91Å; S527-E529 PolarHBondContact OG-OE2 3.48Å; S527-K530 PolarHBondContact O-N 3.34Å; S527-K530 PolarHBondContact OG-N 3.45Å; S527-R531 WeakPolarHBondContact O-CG 3.27Å; S527-R531 PolarHBondContact O-N 2.92Å
528	S	85.6	Confident	90.6	Very high	90 Å²	90	63.3 Å²	63.3	63%	0.629	34%	0.342	S	S	*	.	H	α-helix	trans	-57.2	-35.7	-178.3	-61	0	0	0	0	113.1	R531 K532	S528-R531 PolarHBondContact O-N 3.45Å; S528-K532 PolarHBondContact O-N 3.3Å
529	E	87.7	Confident	90.4	Very high	131 Å²	131	60.8 Å²	60.8	61%	0.612	33%	0.331	S	S	*	.	H	α-helix	trans	-67.7	-45.6	178.5	-51.2	70.4	-146.6	0	0	111	S527 R531 K532 I533	S527-E529 WeakPolarHBondContact CB-OE2 3.39Å; S527-E529 PolarHBondContact O-N 2.91Å; S527-E529 PolarHBondContact OG-OE2 3.48Å; E529-R531 VanDerWaalsContact C-N 3.34Å; E529-R531 PolarHBondContact O-N 3.37Å; E529-K532 PolarHBondContact O-N 2.95Å; E529-I533 WeakPolarHBondContact O-CG1 3.41Å; E529-I533 PolarHBondContact O-N 3.01Å
530	K	90.1	Very high	90.2	Very high	120 Å²	120	65.2 Å²	65.2	52%	0.522	35%	0.349	S	S	.	.	H	α-helix	trans	-65.9	-36.2	177.6	-72.5	-178.5	-179.1	176.7	0	111.9	V526 S527 K532 I533 Y534	V526-K530 HydrophobicContact CG1-CB 3.63Å; S527-K530 PolarHBondContact O-N 3.34Å; S527-K530 PolarHBondContact OG-N 3.45Å; K530-K532 VanDerWaalsContact C-N 3.34Å; K530-K532 PolarHBondContact O-N 2.9Å; K530-I533 PolarHBondContact O-N 3.01Å; K530-Y534 HydrophobicContact CB-CE2 4.32Å; K530-Y534 VanDerWaalsContact O-CD2 3.31Å; K530-Y534 WeakPolarHBondContact O-CD2 3.43Å; K530-Y534 PolarHBondContact O-N 3.34Å
531	R	88.5	Confident	90.1	Very high	27 Å²	27	66.6 Å²	66.6	10%	0.102	36%	0.359	C	S	.	.	H	α-helix	trans	-56.9	-48.2	175	-70.2	178.5	-158.3	-90.2	-6.2	111	I522 D523 V526 S527 S528 E529 I533 Y534 C535	I522-R531 HydrophobicContact CG2-CG 4.04Å; D523-R531 PolarHBondContact O-NH1 3.32Å; D523-R531 PolarHBondContact O-NH2 2.88Å; V526-R531 HydrophobicContact CB-CG 4.17Å; V526-R531 HydrophobicContact CG1-CG 3.77Å; V526-R531 PolarHBondContact O-NE 3.23Å; V526-R531 PolarHBondContact O-NH2 2.92Å; S527-R531 WeakPolarHBondContact O-CG 3.27Å; S527-R531 PolarHBondContact O-N 2.92Å; S528-R531 PolarHBondContact O-N 3.45Å; E529-R531 VanDerWaalsContact C-N 3.34Å; E529-R531 PolarHBondContact O-N 3.37Å; R531-I533 PolarHBondContact O-N 3.43Å; R531-Y534 PolarHBondContact O-N 3.39Å; R531-C535 PolarHBondContact O-N 2.95Å; R531-C535 PolarHBondContact O-SG 3.38Å
532	K	87.8	Confident	89.7	Confident	144 Å²	144	70.5 Å²	70.5	63%	0.626	39%	0.385	S	S	*	.	H	α-helix	trans	-58.6	-46.9	177.9	-172.6	177.1	178.8	-178.5	0	111.7	S528 E529 K530 Y534 C535 D536	S528-K532 PolarHBondContact O-N 3.3Å; E529-K532 PolarHBondContact O-N 2.95Å; K530-K532 VanDerWaalsContact C-N 3.34Å; K530-K532 PolarHBondContact O-N 2.9Å; K532-Y534 VanDerWaalsContact C-N 3.31Å; K532-Y534 PolarHBondContact O-N 3.29Å; K532-C535 WeakPolarHBondContact O-CB 3.4Å; K532-C535 PolarHBondContact O-N 3.19Å; K532-D536 VanDerWaalsContact O-CG 3.26Å; K532-D536 PolarHBondContact O-N 3.34Å
533	I	91.5	Very high	89.7	Confident	88 Å²	88	75 Å²	75	45%	0.451	41%	0.409	S	S	.	.	H	α-helix	trans	-58.7	-43	177.3	-64.5	167.3	0	0	0	111.5	E529 K530 R531 D536 K537	E529-I533 WeakPolarHBondContact O-CG1 3.41Å; E529-I533 PolarHBondContact O-N 3.01Å; K530-I533 PolarHBondContact O-N 3.01Å; R531-I533 PolarHBondContact O-N 3.43Å; I533-D536 PolarHBondContact O-N 2.98Å; I533-K537 HydrophobicContact CG2-CD 4.33Å; I533-K537 WeakPolarHBondContact O-CB 3.48Å; I533-K537 VanDerWaalsContact O-CG 3.31Å; I533-K537 WeakPolarHBondContact O-CG 3.33Å; I533-K537 PolarHBondContact O-N 3.43Å
534	Y	92.9	Very high	89.8	Confident	73 Å²	73	75.2 Å²	75.2	29%	0.286	41%	0.411	S	S	.	.	H	α-helix	trans	-66.6	-43.8	177.3	-67.3	-33.5	0	0	0	112.2	I520 I522 V526 K530 R531 K532 D536 K537 F538	I520-Y534 HydrophobicContact CB-CG 4.38Å; I520-Y534 WeakPolarHBondContact CD1-O 3.14Å; I520-Y534 HydrophobicContact CG2-CD1 4.2Å; I520-Y534 HydrophobicContact CG2-CG 4.36Å; I522-Y534 HydrophobicContact CG1-CD2 3.91Å; V526-Y534 HydrophobicContact CG1-CD2 4.05Å; V526-Y534 HydrophobicContact CG1-CE2 3.79Å; K530-Y534 HydrophobicContact CB-CE2 4.32Å; K530-Y534 VanDerWaalsContact O-CD2 3.31Å; K530-Y534 WeakPolarHBondContact O-CD2 3.43Å; K530-Y534 PolarHBondContact O-N 3.34Å; R531-Y534 PolarHBondContact O-N 3.39Å; K532-Y534 VanDerWaalsContact C-N 3.31Å; K532-Y534 PolarHBondContact O-N 3.29Å; Y534-D536 VanDerWaalsContact C-N 3.35Å; Y534-D536 PolarHBondContact O-N 2.85Å; Y534-K537 WeakPolarHBondContact O-CB 3.42Å; Y534-K537 PolarHBondContact O-N 3.22Å; Y534-F538 PolarHBondContact O-N 2.94Å
535	C	89.3	Confident	90.1	Very high	9 Å²	9	75.5 Å²	75.5	6%	0.061	39%	0.391	C	S	.	.	H	α-helix	trans	-57.4	-48.1	173.9	-68.7	0	0	0	0	111.2	R531 K532 K537 F538 Q539 L560	R531-C535 PolarHBondContact O-N 2.95Å; R531-C535 PolarHBondContact O-SG 3.38Å; K532-C535 WeakPolarHBondContact O-CB 3.4Å; K532-C535 PolarHBondContact O-N 3.19Å; C535-K537 VanDerWaalsContact C-N 3.31Å; C535-K537 PolarHBondContact O-N 3.35Å; C535-F538 PolarHBondContact O-N 3.05Å; C535-F538 VanDerWaalsContact O-N 3.15Å; C535-Q539 WeakPolarHBondContact O-CB 3.46Å; C535-Q539 VanDerWaalsContact O-CG 3.22Å; C535-Q539 WeakPolarHBondContact O-CG 3.45Å; C535-Q539 PolarHBondContact O-N 3.32Å; C535-L560 HydrophobicContact CB-CD2 4.3Å
536	D	90.4	Very high	90.6	Very high	74 Å²	74	70.5 Å²	70.5	40%	0.396	36%	0.356	S	S	.	.	H	α-helix	trans	-62	-39.2	179.2	-66.8	-21.6	0	0	0	111.7	K532 I533 Y534 Q539 N540	K532-D536 VanDerWaalsContact O-CG 3.26Å; K532-D536 PolarHBondContact O-N 3.34Å; I533-D536 PolarHBondContact O-N 2.98Å; Y534-D536 VanDerWaalsContact C-N 3.35Å; Y534-D536 PolarHBondContact O-N 2.85Å; D536-Q539 PolarHBondContact O-N 2.98Å; D536-N540 VanDerWaalsContact O-CB 3.31Å; D536-N540 WeakPolarHBondContact O-CB 3.45Å; D536-N540 PolarHBondContact O-N 3.22Å; D536-N540 PolarHBondContact O-ND2 3.34Å; D536-N540 VanDerWaalsContact O-ND2 3.09Å
537	K	93.1	Very high	90.8	Very high	109 Å²	109	69.5 Å²	69.5	47%	0.474	35%	0.35	S	S	.	.	H	α-helix	trans	-62.2	-44.7	173.8	-77.7	178.1	179.7	-175.8	0	112	I533 Y534 C535 S541 V544	I533-K537 HydrophobicContact CG2-CD 4.33Å; I533-K537 WeakPolarHBondContact O-CB 3.48Å; I533-K537 VanDerWaalsContact O-CG 3.31Å; I533-K537 WeakPolarHBondContact O-CG 3.33Å; I533-K537 PolarHBondContact O-N 3.43Å; Y534-K537 WeakPolarHBondContact O-CB 3.42Å; Y534-K537 PolarHBondContact O-N 3.22Å; C535-K537 VanDerWaalsContact C-N 3.31Å; C535-K537 PolarHBondContact O-N 3.35Å; K537-S541 WeakPolarHBondContact O-CB 3.25Å; K537-S541 PolarHBondContact O-N 2.93Å; K537-V544 HydrophobicContact CB-CG2 4.42Å
538	F	92.5	Very high	91.2	Very high	0 Å²	0	67.3 Å²	67.3	0%	0	33%	0.334	C	S	.	.	H	α-helix	trans	-68.1	-36.3	177.7	-178.7	-101.5	0	0	0	112.3	K494 I496 I520 Y534 C535 V544 A547 L560 A562	K494-F538 WeakPolarHBondContact CE-O 3.27Å; K494-F538 HydrophobicContact CG-CE2 3.99Å; K494-F538 HydrophobicContact CG-CZ 4.05Å; K494-F538 PolarHBondContact NZ-O 3.31Å; I496-F538 HydrophobicContact CD1-CE1 4.48Å; I496-F538 HydrophobicContact CG1-CE1 4.09Å; I496-F538 HydrophobicContact CG1-CZ 3.92Å; I520-F538 HydrophobicContact CD1-CB 3.67Å; I520-F538 HydrophobicContact CD1-CG 4.25Å; I520-F538 HydrophobicContact CG1-CB 4.31Å; Y534-F538 PolarHBondContact O-N 2.94Å; C535-F538 PolarHBondContact O-N 3.05Å; C535-F538 VanDerWaalsContact O-N 3.15Å; F538-V544 HydrophobicContact CB-CG1 4.38Å; F538-V544 HydrophobicContact CD2-CG1 4.01Å; F538-A547 HydrophobicContact CD1-CB 4.35Å; F538-A547 HydrophobicContact CD2-CB 3.75Å; F538-A547 HydrophobicContact CE1-CB 4.26Å; F538-A547 HydrophobicContact CE2-CB 3.66Å; F538-A547 HydrophobicContact CG-CB 4.08Å; F538-A547 HydrophobicContact CZ-CB 3.9Å; F538-L560 HydrophobicContact CB-CD2 4.38Å; F538-L560 HydrophobicContact CD1-CB 4.27Å; F538-L560 HydrophobicContact CD1-CD2 3.64Å; F538-L560 HydrophobicContact CE1-CB 4.14Å; F538-L560 HydrophobicContact CE1-CD2 4.29Å; F538-L560 HydrophobicContact CG-CD2 4.29Å; F538-A562 HydrophobicContact CD1-CB 4.42Å; F538-A562 HydrophobicContact CE1-CB 4.28Å
539	Q	89.6	Confident	91.6	Very high	48 Å²	48	63 Å²	63	22%	0.224	31%	0.305	C	S	.	.	H	α-helix	trans	-73.4	-42.9	-179.4	-67	-74.1	68.2	0	0	112.3	C535 D536 T561	C535-Q539 WeakPolarHBondContact O-CB 3.46Å; C535-Q539 VanDerWaalsContact O-CG 3.22Å; C535-Q539 WeakPolarHBondContact O-CG 3.45Å; C535-Q539 PolarHBondContact O-N 3.32Å; D536-Q539 PolarHBondContact O-N 2.98Å; Q539-T561 PolarHBondContact NE2-OG1 3.07Å
540	N	91.9	Very high	91.9	Very high	132 Å²	132	57 Å²	57	71%	0.706	28%	0.277	S	S	*	.	H	α-helix	trans	-101.2	-12.6	-168.5	-59.2	-46.8	0	0	0	114.6	D536	D536-N540 VanDerWaalsContact O-CB 3.31Å; D536-N540 WeakPolarHBondContact O-CB 3.45Å; D536-N540 PolarHBondContact O-N 3.22Å; D536-N540 PolarHBondContact O-ND2 3.34Å; D536-N540 VanDerWaalsContact O-ND2 3.09Å
541	S	91.1	Very high	91.9	Very high	39 Å²	39	51.3 Å²	51.3	27%	0.273	25%	0.252	S	S	.	.			trans	-108.6	124.3	178.8	-171.9	0	0	0	0	111.7	K494 K537 D543	K494-S541 PolarHBondContact NZ-O 3.46Å; K537-S541 WeakPolarHBondContact O-CB 3.25Å; K537-S541 PolarHBondContact O-N 2.93Å; S541-D543 PolarHBondContact O-N 3.06Å; S541-D543 WeakPolarHBondContact OG-CB 2.99Å; S541-D543 PolarHBondContact OG-N 2.98Å
542	D	87.3	Confident	91.7	Very high	146 Å²	146	53.4 Å²	53.4	78%	0.781	27%	0.268	S	S	*	.	S	Bend	trans	-74	-17.2	171	-69	-28.7	0	0	0	112.7
543	D	91.5	Very high	91.3	Very high	94 Å²	94	46.9 Å²	46.9	50%	0.503	24%	0.241	S	C	.	.	S	Bend	trans	-70.4	-35.2	175.6	-169.5	37.4	0	0	0	111.3	H518 S541 R545	H518-D543 WeakPolarHBondContact CB-O 3.33Å; H518-D543 IonicContact CD2-OD1 2.75Å; H518-D543 PolarHBondContact CD2-OD1 2.96Å; H518-D543 IonicContact CD2-OD2 2.87Å; H518-D543 PolarHBondContact CD2-OD2 2.79Å; H518-D543 IonicContact CE1-OD2 3.45Å; H518-D543 IonicContact CG-OD2 3.95Å; H518-D543 IonicContact NE2-OD1 2.9Å; H518-D543 IonicContact NE2-OD2 3.22Å; H518-D543 PolarHBondContact NE2-OD2 3.04Å; S541-D543 PolarHBondContact O-N 3.06Å; S541-D543 WeakPolarHBondContact OG-CB 2.99Å; S541-D543 PolarHBondContact OG-N 2.98Å; D543-R545 PolarHBondContact O-N 3.32Å
544	V	93.6	Very high	90.1	Very high	14 Å²	14	42.7 Å²	42.7	9%	0.085	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	101.7	175.4	-173.7	0	0	0	0	109.4	K494 H518 I520 K537 F538	K494-V544 VanDerWaalsContact CE-O 3.23Å; K494-V544 WeakPolarHBondContact CE-O 3.45Å; K494-V544 PolarHBondContact NZ-O 2.81Å; H518-V544 HydrophobicContact CB-CG2 4.28Å; H518-V544 WeakPolarHBondContact O-CA 3.45Å; I520-V544 HydrophobicContact CG2-CG1 3.91Å; K537-V544 HydrophobicContact CB-CG2 4.42Å; F538-V544 HydrophobicContact CB-CG1 4.38Å; F538-V544 HydrophobicContact CD2-CG1 4.01Å
545	R	93.4	Very high	88.7	Confident	72 Å²	72	43.1 Å²	43.1	27%	0.272	23%	0.233	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	-18.8	-174.9	-64	-170.4	-65.7	154	3.2	113.9	G492 K494 F495 V517 H518 D543	G492-R545 VanDerWaalsContact CA-NH1 3.33Å; K494-R545 CarbonylContact C-O 3.29Å; K494-R545 WeakPolarHBondContact CA-O 3.38Å; K494-R545 WeakPolarHBondContact CG-O 3.45Å; F495-R545 PolarHBondContact N-O 2.82Å; V517-R545 HydrophobicContact CG1-CB 4.2Å; H518-R545 PolarHBondContact O-N 2.78Å; D543-R545 PolarHBondContact O-N 3.32Å
546	V	96.5	Very high	87.5	Confident	1 Å²	1	45.6 Å²	45.6	1%	0.006	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	135.2	-174.8	-171.2	0	0	0	0	111.9	V489 F495 V497 F512 V517 A519 I520	V489-V546 HydrophobicContact CG2-CG2 4.45Å; F495-V546 HydrophobicContact CD1-CG2 4.27Å; F495-V546 HydrophobicContact CD2-CG1 4.33Å; F495-V546 HydrophobicContact CE1-CG2 3.62Å; F495-V546 HydrophobicContact CE2-CG1 3.79Å; F495-V546 HydrophobicContact CE2-CG2 4.37Å; F495-V546 HydrophobicContact CZ-CB 4.44Å; F495-V546 HydrophobicContact CZ-CG1 3.89Å; F495-V546 HydrophobicContact CZ-CG2 3.66Å; F495-V546 WeakPolarHBondContact O-CA 3.35Å; V497-V546 HydrophobicContact CG1-CG1 3.9Å; F512-V546 HydrophobicContact CD1-CG2 4.42Å; F512-V546 HydrophobicContact CD2-CG1 4.49Å; F512-V546 HydrophobicContact CE1-CB 4.48Å; F512-V546 HydrophobicContact CE1-CG1 4.05Å; F512-V546 HydrophobicContact CE1-CG2 4.18Å; F512-V546 HydrophobicContact CE2-CG1 3.8Å; F512-V546 HydrophobicContact CZ-CB 4.39Å; F512-V546 HydrophobicContact CZ-CG1 3.57Å; V517-V546 HydrophobicContact CG1-CG2 4.22Å; A519-V546 CarbonylContact C-O 3.46Å; A519-V546 WeakPolarHBondContact CA-O 3.36Å; A519-V546 HydrophobicContact CB-CB 3.85Å; A519-V546 HydrophobicContact CB-CG1 4.47Å; I520-V546 PolarHBondContact N-O 2.86Å
547	A	94.7	Very high	86.4	Confident	0 Å²	0	44.6 Å²	44.6	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	110.3	167.2	0	0	0	0	0	110.6	F495 I496 V497 I520 F538 L560	F495-A547 PolarHBondContact O-N 2.67Å; F495-A547 VanDerWaalsContact O-N 3.09Å; I496-A547 CarbonylContact C-O 3.55Å; I496-A547 WeakPolarHBondContact CA-O 3.46Å; I496-A547 HydrophobicContact CG1-CB 4.17Å; V497-A547 PolarHBondContact N-O 3.44Å; I520-A547 HydrophobicContact CD1-CB 3.81Å; I520-A547 HydrophobicContact CG1-CB 3.7Å; F538-A547 HydrophobicContact CD1-CB 4.35Å; F538-A547 HydrophobicContact CD2-CB 3.75Å; F538-A547 HydrophobicContact CE1-CB 4.26Å; F538-A547 HydrophobicContact CE2-CB 3.66Å; F538-A547 HydrophobicContact CG-CB 4.08Å; F538-A547 HydrophobicContact CZ-CB 3.9Å; A547-L560 HydrophobicContact CB-CD1 4.48Å
548	L	95.9	Very high	85.6	Confident	2 Å²	2	40.2 Å²	40.2	1%	0.01	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	115.3	176.4	176.7	65	0	0	0	110	V497 M505 L508 F512 I520 R521 I522	V497-L548 HydrophobicContact CG1-CB 4.14Å; V497-L548 HydrophobicContact CG1-CD1 3.68Å; V497-L548 WeakPolarHBondContact O-CA 3.36Å; M505-L548 HydrophobicContact CB-CD2 4.4Å; M505-L548 HydrophobicContact CE-CD1 4.17Å; M505-L548 HydrophobicContact CE-CD2 4.11Å; M505-L548 HydrophobicContact CE-CG 3.65Å; M505-L548 VanDerWaalsContact O-CD2 3.3Å; M505-L548 WeakPolarHBondContact O-CD2 3.28Å; M505-L548 HydrophobicContact SD-CD1 3.46Å; M505-L548 WeakPolarHBondContact SD-CD1 3.34Å; M505-L548 HydrophobicContact SD-CD2 4.15Å; M505-L548 HydrophobicContact SD-CG 3.65Å; L508-L548 HydrophobicContact CB-CD1 4.25Å; L508-L548 HydrophobicContact CB-CD2 4.17Å; L508-L548 HydrophobicContact CD1-CD1 3.77Å; F512-L548 HydrophobicContact CE2-CB 4.36Å; F512-L548 HydrophobicContact CE2-CD2 4.46Å; I520-L548 WeakPolarHBondContact O-CB 3.04Å; I520-L548 PolarHBondContact O-N 3.49Å; R521-L548 CarbonylContact C-O 3.51Å; R521-L548 VanDerWaalsContact CA-O 3.31Å; R521-L548 WeakPolarHBondContact CA-O 3.24Å; R521-L548 HydrophobicContact CG-CD2 4.33Å; I522-L548 PolarHBondContact N-O 3.47Å
549	L	94.3	Very high	85	Confident	1 Å²	1	42 Å²	42	1%	0.005	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	141.6	-172.9	-71.9	155.9	0	0	0	111.4	I496 V497 F498 A499 I522 I558 L560	I496-L549 HydrophobicContact CG2-CD1 3.4Å; V497-L549 PolarHBondContact O-N 3.19Å; F498-L549 VanDerWaalsContact CA-O 3.29Å; F498-L549 WeakPolarHBondContact CA-O 3.28Å; F498-L549 HydrophobicContact CD1-CB 3.44Å; F498-L549 VanDerWaalsContact CD1-CB 3.44Å; F498-L549 HydrophobicContact CD1-CD1 4.24Å; F498-L549 HydrophobicContact CD1-CG 4.47Å; F498-L549 HydrophobicContact CE1-CB 3.44Å; F498-L549 VanDerWaalsContact CE1-CB 3.44Å; F498-L549 HydrophobicContact CE1-CD1 3.51Å; F498-L549 HydrophobicContact CE1-CG 4.06Å; F498-L549 HydrophobicContact CE2-CD1 4.39Å; F498-L549 HydrophobicContact CG-CB 4.34Å; F498-L549 HydrophobicContact CZ-CB 4.34Å; F498-L549 HydrophobicContact CZ-CD1 3.6Å; A499-L549 PolarHBondContact N-O 3.14Å; I522-L549 HydrophobicContact CB-CD2 3.65Å; I522-L549 HydrophobicContact CD1-CD2 4.08Å; I522-L549 HydrophobicContact CG1-CD2 4.41Å; I522-L549 HydrophobicContact CG2-CD2 3.91Å; I522-L549 WeakPolarHBondContact O-CA 3.14Å; L549-I558 HydrophobicContact CD2-CD1 3.55Å; L549-L560 HydrophobicContact CD1-CD1 3.24Å; L549-L560 HydrophobicContact CD2-CD1 4.29Å; L549-L560 HydrophobicContact CG-CD1 4.26Å
550	S	93.4	Very high	84.7	Confident	5 Å²	5	39.8 Å²	39.8	4%	0.035	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.8	135.7	163.6	-174.3	0	0	0	0	110.4	A499 I522 T552 A553	A499-S550 CarbonylContact O-C 3.6Å; A499-S550 WeakPolarHBondContact O-CA 3.43Å; I522-S550 PolarHBondContact O-N 3Å; S550-T552 PolarHBondContact O-N 3.36Å; S550-T552 PolarHBondContact OG-OG1 2.84Å; S550-A553 WeakPolarHBondContact O-CB 3.48Å; S550-A553 PolarHBondContact O-N 2.66Å
551	I	90.4	Very high	84.3	Confident	0 Å²	0	35.8 Å²	35.8	0%	0	22%	0.218	C	C	.	.	G	3₁₀ helix	trans	-53.7	-38.6	175.9	-68	174.5	0	0	0	111.1	F498 A499 H500 A553 A554 F568 E570 F572 V577 L578	F498-I551 HydrophobicContact CB-CG1 3.85Å; A499-I551 PolarHBondContact O-N 3.34Å; H500-I551 HydrophobicContact CB-CD1 4.13Å; I551-A553 VanDerWaalsContact C-N 3.32Å; I551-A553 PolarHBondContact O-N 2.73Å; I551-A554 WeakPolarHBondContact O-CB 3.44Å; I551-A554 PolarHBondContact O-N 2.72Å; I551-F568 HydrophobicContact CD1-CD1 4.43Å; I551-F568 HydrophobicContact CG1-CD1 4.43Å; I551-E570 HydrophobicContact CD1-CB 4.31Å; I551-E570 WeakPolarHBondContact CD1-O 3.46Å; I551-F572 HydrophobicContact CD1-CB 4.3Å; I551-F572 HydrophobicContact CG2-CB 3.97Å; I551-F572 HydrophobicContact CG2-CD1 4.14Å; I551-F572 HydrophobicContact CG2-CD2 4.32Å; I551-F572 HydrophobicContact CG2-CG 3.89Å; I551-V577 HydrophobicContact CG2-CG1 3.71Å; I551-V577 WeakPolarHBondContact O-CG1 3.45Å; I551-L578 HydrophobicContact CG2-CD2 4.41Å
552	T	84.9	Confident	84	Confident	71 Å²	71	35.6 Å²	35.6	44%	0.436	22%	0.219	S	C	.	.	G	3₁₀ helix	trans	-76.9	-17.5	-179.7	57.1	0	0	0	0	113.5	S550 A554 S555	S550-T552 PolarHBondContact O-N 3.36Å; S550-T552 PolarHBondContact OG-OG1 2.84Å; T552-A554 PolarHBondContact O-N 2.83Å; T552-S555 PolarHBondContact O-OG 2.8Å
553	A	78.9	Confident	83.9	Confident	6 Å²	6	28.7 Å²	28.7	5%	0.05	18%	0.182	C	C	.	.	G	3₁₀ helix	trans	-72.7	-9	173.2	0	0	0	0	0	112.3	I522 S550 I551 S555 T556	I522-A553 HydrophobicContact CG2-CB 4.39Å; S550-A553 WeakPolarHBondContact O-CB 3.48Å; S550-A553 PolarHBondContact O-N 2.66Å; I551-A553 VanDerWaalsContact C-N 3.32Å; I551-A553 PolarHBondContact O-N 2.73Å; A553-S555 PolarHBondContact O-N 2.87Å; A553-S555 VanDerWaalsContact O-N 3.13Å; A553-T556 WeakPolarHBondContact O-CB 3.48Å; A553-T556 WeakPolarHBondContact O-CG2 3.15Å; A553-T556 PolarHBondContact O-N 3.46Å; A553-T556 VanDerWaalsContact O-N 3.11Å; A553-T556 PolarHBondContact O-OG1 2.68Å
554	A	67.3	Low	83.7	Confident	0 Å²	0	29 Å²	29	0%	0	18%	0.176	C	C	.	.	G	3₁₀ helix	trans	-61.6	-16.9	177.8	0	0	0	0	0	114.2	I551 T552 T556 A581 R584	I551-A554 WeakPolarHBondContact O-CB 3.44Å; I551-A554 PolarHBondContact O-N 2.72Å; T552-A554 PolarHBondContact O-N 2.83Å; A554-T556 PolarHBondContact O-N 3.26Å; A554-A581 HydrophobicContact CB-CB 3.6Å; A554-R584 PolarHBondContact O-NE 3.11Å; A554-R584 PolarHBondContact O-NH2 3.36Å
555	S	63.4	Low	83.6	Confident	83 Å²	83	29 Å²	29	58%	0.58	18%	0.175	S	C	*	.	G	3₁₀ helix	trans	-72.9	-12.3	174.8	58.1	0	0	0	0	113.7	T552 A553 G557	T552-S555 PolarHBondContact O-OG 2.8Å; A553-S555 PolarHBondContact O-N 2.87Å; A553-S555 VanDerWaalsContact O-N 3.13Å; S555-G557 PolarHBondContact O-N 3.25Å
556	T	63.4	Low	83.6	Confident	60 Å²	60	25.5 Å²	25.5	37%	0.368	16%	0.162	S	C	.	.	G	3₁₀ helix	trans	-85.1	13.8	-164.4	61.5	0	0	0	0	116.7	A553 A554 I558	A553-T556 WeakPolarHBondContact O-CB 3.48Å; A553-T556 WeakPolarHBondContact O-CG2 3.15Å; A553-T556 PolarHBondContact O-N 3.46Å; A553-T556 VanDerWaalsContact O-N 3.11Å; A553-T556 PolarHBondContact O-OG1 2.68Å; A554-T556 PolarHBondContact O-N 3.26Å; T556-I558 VanDerWaalsContact C-N 3.32Å; T556-I558 PolarHBondContact O-N 3.34Å
557	G	67.9	Low	83.5	Confident	54 Å²	54	25.5 Å²	25.5	56%	0.557	16%	0.162	S	C	*	.			trans	67.8	23.6	171.4	0	0	0	0	0	115.9	S555	S555-G557 PolarHBondContact O-N 3.25Å
558	I	75.6	Confident	83.6	Confident	16 Å²	16	25.5 Å²	25.5	8%	0.082	16%	0.162	C	C	.	.			trans	-81.6	153	179	58.5	175.9	0	0	0	112.6	L549 T556 L560 R584	L549-I558 HydrophobicContact CD2-CD1 3.55Å; T556-I558 VanDerWaalsContact C-N 3.32Å; T556-I558 PolarHBondContact O-N 3.34Å; I558-L560 HydrophobicContact CD1-CD1 4.04Å; I558-R584 HydrophobicContact CG1-CG 4.36Å; I558-R584 WeakPolarHBondContact O-CD 3.24Å
559	T	80.5	Confident	83.6	Confident	39 Å²	39	25.4 Å²	25.4	24%	0.239	16%	0.161	C	C	.	.			trans	-119.5	123.8	178.7	-57.1	0	0	0	0	109.7	T561 R587	T559-T561 HydrophobicContact CG2-CG2 3.69Å; T559-R587 PolarHBondContact OG1-NH1 3.18Å
560	L	83.9	Confident	83.6	Confident	0 Å²	0	25.5 Å²	25.5	0%	0	16%	0.162	C	C	.	.			trans	-133.7	44.7	-175.2	-63.6	173	0	0	0	111.8	I496 C535 F538 A547 L549 I558 A562 R584	I496-L560 HydrophobicContact CD1-CB 3.65Å; I496-L560 HydrophobicContact CD1-CD1 4.3Å; I496-L560 WeakPolarHBondContact CD1-O 3.3Å; I496-L560 HydrophobicContact CG1-CB 4.38Å; I496-L560 HydrophobicContact CG1-CD1 4.5Å; C535-L560 HydrophobicContact CB-CD2 4.3Å; F538-L560 HydrophobicContact CB-CD2 4.38Å; F538-L560 HydrophobicContact CD1-CB 4.27Å; F538-L560 HydrophobicContact CD1-CD2 3.64Å; F538-L560 HydrophobicContact CE1-CB 4.14Å; F538-L560 HydrophobicContact CE1-CD2 4.29Å; F538-L560 HydrophobicContact CG-CD2 4.29Å; A547-L560 HydrophobicContact CB-CD1 4.48Å; L549-L560 HydrophobicContact CD1-CD1 3.24Å; L549-L560 HydrophobicContact CD2-CD1 4.29Å; L549-L560 HydrophobicContact CG-CD1 4.26Å; I558-L560 HydrophobicContact CD1-CD1 4.04Å; L560-A562 PolarHBondContact O-N 3.2Å; L560-R584 PolarHBondContact N-O 2.6Å
561	T	81.8	Confident	83.6	Confident	48 Å²	48	25.3 Å²	25.3	29%	0.294	16%	0.161	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.4	-10.4	-173.8	55.7	0	0	0	0	115.1	Q539 T559 S563 R587	Q539-T561 PolarHBondContact NE2-OG1 3.07Å; T559-T561 HydrophobicContact CG2-CG2 3.69Å; T561-S563 PolarHBondContact O-N 2.86Å; T561-S563 VanDerWaalsContact O-N 3.16Å; T561-R587 HydrophobicContact CG2-CB 4.21Å
562	A	85	Confident	83.6	Confident	35 Å²	35	26.1 Å²	26.1	29%	0.289	16%	0.164	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.6	-12.4	177.3	0	0	0	0	0	113.2	F538 L560	F538-A562 HydrophobicContact CD1-CB 4.42Å; F538-A562 HydrophobicContact CE1-CB 4.28Å; L560-A562 PolarHBondContact O-N 3.2Å
563	S	86.7	Confident	83.6	Confident	1 Å²	1	25.7 Å²	25.7	1%	0.007	15%	0.154	C	C	.	.			trans	-114.6	138.3	170	-177.6	0	0	0	0	112.2	K494 F495 T561 L565	K494-S563 WeakPolarHBondContact O-CB 3.29Å; K494-S563 PolarHBondContact O-OG 3.31Å; F495-S563 VanDerWaalsContact CA-OG 3.23Å; F495-S563 WeakPolarHBondContact CA-OG 3.46Å; T561-S563 PolarHBondContact O-N 2.86Å; T561-S563 VanDerWaalsContact O-N 3.16Å; S563-L565 PolarHBondContact OG-N 3.05Å; S563-L565 VanDerWaalsContact OG-N 3.07Å; S563-L565 PolarHBondContact OG-O 3.06Å; S563-L565 VanDerWaalsContact OG-O 3.08Å
564	R	86	Confident	83.8	Confident	102 Å²	102	28.7 Å²	28.7	39%	0.385	17%	0.17	S	C	.	.	S	Bend	trans	-99.9	7	172.9	-58.2	179.2	175.3	84.7	-5.2	112.5	D592 L595	R564-D592 IonicContact CZ-OD2 3.03Å; R564-D592 VanDerWaalsContact CZ-OD2 3.22Å; R564-D592 IonicContact NE-OD2 2.91Å; R564-D592 PolarHBondContact NE-OD2 3.25Å; R564-D592 IonicContact NH2-OD2 2.69Å; R564-D592 PolarHBondContact NH2-OD2 3.38Å; R564-L595 PolarHBondContact O-N 2.84Å
565	L	91.2	Very high	84.6	Confident	12 Å²	12	29.2 Å²	29.2	6%	0.063	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	116.3	-178.2	176.9	57	0	0	0	110.1	M225 L488 F495 I496 S563 V567 L595 E597	M225-L565 HydrophobicContact CE-CD2 4.46Å; L488-L565 HydrophobicContact CD1-CD2 4.45Å; L488-L565 HydrophobicContact CD2-CD2 4.28Å; F495-L565 WeakPolarHBondContact CA-O 3.15Å; F495-L565 HydrophobicContact CB-CB 4.01Å; F495-L565 HydrophobicContact CB-CD2 3.89Å; F495-L565 HydrophobicContact CB-CG 3.86Å; I496-L565 PolarHBondContact N-O 2.92Å; S563-L565 PolarHBondContact OG-N 3.05Å; S563-L565 VanDerWaalsContact OG-N 3.07Å; S563-L565 PolarHBondContact OG-O 3.06Å; S563-L565 VanDerWaalsContact OG-O 3.08Å; L565-V567 HydrophobicContact CD1-CG2 4.22Å; L565-V567 HydrophobicContact CG-CG2 4.12Å; L565-L595 WeakPolarHBondContact CA-O 3.48Å; L565-L595 HydrophobicContact CD1-CB 4.26Å; L565-L595 HydrophobicContact CD1-CD2 3.96Å; L565-L595 HydrophobicContact CD1-CG 3.97Å; L565-E597 HydrophobicContact CD1-CG 4.08Å; L565-E597 WeakPolarHBondContact CD1-OE2 3.3Å
566	V	93.4	Very high	85.6	Confident	0 Å²	0	26.5 Å²	26.5	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	128	174.7	178.7	0	0	0	0	108.6	I496 F498 F568 A585 V594 L595 V596 E597	I496-V566 HydrophobicContact CB-CG2 4.45Å; I496-V566 HydrophobicContact CD1-CG2 4.28Å; I496-V566 CarbonylContact O-C 3.53Å; I496-V566 WeakPolarHBondContact O-CA 3.47Å; F498-V566 HydrophobicContact CD2-CG1 3.58Å; F498-V566 HydrophobicContact CE2-CG1 3.54Å; V566-F568 HydrophobicContact CG1-CD2 4.13Å; V566-F568 HydrophobicContact CG1-CE2 3.69Å; V566-F568 HydrophobicContact CG1-CZ 4.22Å; V566-A585 HydrophobicContact CG2-CB 3.32Å; V566-V594 HydrophobicContact CG2-CG1 4.05Å; V566-L595 PolarHBondContact N-O 2.81Å; V566-V596 HydrophobicContact CB-CG1 4.45Å; V566-V596 HydrophobicContact CB-CG2 4.36Å; V566-V596 HydrophobicContact CG1-CG1 4.43Å; V566-V596 CarbonylContact O-C 3.55Å; V566-V596 WeakPolarHBondContact O-CA 3.37Å; V566-E597 PolarHBondContact O-N 3.25Å
567	V	95.9	Very high	86.6	Confident	0 Å²	0	25 Å²	25	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	118.9	178.2	-174.9	0	0	0	0	109	Y484 I485 L488 F495 I496 V497 F498 L565 A569 E597 L599	Y484-V567 HydrophobicContact CE1-CG1 4.2Å; I485-V567 HydrophobicContact CD1-CG1 4.01Å; L488-V567 HydrophobicContact CD1-CG2 3.77Å; F495-V567 HydrophobicContact CD2-CG2 4.31Å; I496-V567 PolarHBondContact O-N 3Å; V497-V567 CarbonylContact C-O 3.31Å; V497-V567 VanDerWaalsContact CA-O 3.25Å; V497-V567 WeakPolarHBondContact CA-O 3.26Å; F498-V567 PolarHBondContact N-O 3.35Å; L565-V567 HydrophobicContact CD1-CG2 4.22Å; L565-V567 HydrophobicContact CG-CG2 4.12Å; V567-A569 PolarHBondContact O-N 3.39Å; V567-E597 CarbonylContact C-O 3.38Å; V567-E597 WeakPolarHBondContact CA-O 3.39Å; V567-E597 HydrophobicContact CG2-CB 4.4Å; V567-L599 HydrophobicContact CG1-CD1 3.96Å; V567-L599 HydrophobicContact CG1-CD2 3.87Å; V567-L599 HydrophobicContact CG1-CG 3.8Å
568	F	96.2	Very high	87.5	Confident	0 Å²	0	22.5 Å²	22.5	0%	0	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	103.4	168.6	-72.4	-86.2	0	0	0	108.7	F498 I551 V566 E570 L578 A581 E582 V596 E597 Y598 L599	F498-F568 HydrophobicContact CB-CD1 3.6Å; F498-F568 HydrophobicContact CB-CE1 3.79Å; F498-F568 HydrophobicContact CB-CG 4.38Å; F498-F568 HydrophobicContact CD2-CD1 4.21Å; F498-F568 AromaticContact CD2-CE1 3.75Å; F498-F568 HydrophobicContact CD2-CE1 3.75Å; F498-F568 HydrophobicContact CD2-CE2 4.42Å; F498-F568 AromaticContact CD2-CZ 3.88Å; F498-F568 HydrophobicContact CD2-CZ 3.88Å; F498-F568 HydrophobicContact CE2-CZ 4.31Å; F498-F568 HydrophobicContact CG-CD1 4.16Å; F498-F568 AromaticContact CG-CE1 3.83Å; F498-F568 HydrophobicContact CG-CE1 3.83Å; F498-F568 HydrophobicContact CG-CZ 4.42Å; I551-F568 HydrophobicContact CD1-CD1 4.43Å; I551-F568 HydrophobicContact CG1-CD1 4.43Å; V566-F568 HydrophobicContact CG1-CD2 4.13Å; V566-F568 HydrophobicContact CG1-CE2 3.69Å; V566-F568 HydrophobicContact CG1-CZ 4.22Å; F568-E570 PolarHBondContact O-N 3.5Å; F568-L578 HydrophobicContact CD1-CD2 3.67Å; F568-L578 HydrophobicContact CE1-CD2 3.45Å; F568-L578 VanDerWaalsContact CE1-CD2 3.45Å; F568-L578 HydrophobicContact CG-CD2 4.48Å; F568-L578 HydrophobicContact CZ-CD2 4.09Å; F568-A581 HydrophobicContact CE1-CB 3.84Å; F568-A581 HydrophobicContact CZ-CB 3.71Å; F568-E582 HydrophobicContact CE2-CG 3.79Å; F568-E582 HydrophobicContact CZ-CG 4.03Å; F568-V596 HydrophobicContact CD2-CG1 3.67Å; F568-V596 HydrophobicContact CE2-CG1 3.52Å; F568-E597 PolarHBondContact N-O 3.07Å; F568-Y598 HydrophobicContact CB-CD1 3.63Å; F568-Y598 HydrophobicContact CB-CE1 3.97Å; F568-Y598 HydrophobicContact CB-CG 4.48Å; F568-Y598 HydrophobicContact CD1-CE1 4.35Å; F568-Y598 AromaticContact CD2-CD1 3.77Å; F568-Y598 HydrophobicContact CD2-CD1 3.77Å; F568-Y598 AromaticContact CD2-CE1 3.37Å; F568-Y598 HydrophobicContact CD2-CE1 3.37Å; F568-Y598 HydrophobicContact CD2-CE2 4.43Å; F568-Y598 HydrophobicContact CD2-CG 4.49Å; F568-Y598 AromaticContact CD2-CZ 3.75Å; F568-Y598 AromaticContact CE2-CE1 3.89Å; F568-Y598 HydrophobicContact CE2-CE1 3.89Å; F568-Y598 AromaticContact CE2-CZ 3.92Å; F568-Y598 AromaticContact CG-CD1 3.84Å; F568-Y598 HydrophobicContact CG-CD1 3.84Å; F568-Y598 AromaticContact CG-CE1 3.64Å; F568-Y598 HydrophobicContact CG-CE1 3.64Å; F568-L599 WeakPolarHBondContact O-CB 3.34Å; F568-L599 WeakPolarHBondContact O-CG 3.39Å; F568-L599 PolarHBondContact O-N 3.49Å
569	A	96.5	Very high	88	Confident	0 Å²	0	23.4 Å²	23.4	0%	0	13%	0.127	C	C	.	.	S	Bend	trans	-64	-26.7	174.3	0	0	0	0	0	111.7	K477 I481 V497 F498 A499 I504 V567	K477-A569 PolarHBondContact NZ-O 3.01Å; I481-A569 HydrophobicContact CD1-CB 4.3Å; I481-A569 WeakPolarHBondContact CD1-O 3.09Å; I481-A569 HydrophobicContact CG2-CB 3.96Å; V497-A569 HydrophobicContact CG2-CB 4.1Å; F498-A569 WeakPolarHBondContact O-CB 3.49Å; F498-A569 PolarHBondContact O-N 3.49Å; A499-A569 HydrophobicContact CB-CB 4.29Å; I504-A569 HydrophobicContact CG2-CB 4.32Å; V567-A569 PolarHBondContact O-N 3.39Å
570	E	94.4	Very high	88.2	Confident	4 Å²	4	25.5 Å²	25.5	2%	0.019	14%	0.135	C	C	.	.	S	Bend	trans	-134.4	142.3	179.5	-58.2	-175.2	80.3	0	0	110.8	A474 H500 H501 I504 I551 F568	A474-E570 WeakPolarHBondContact CB-OE1 3.42Å; H500-E570 WeakPolarHBondContact CA-OE2 3.3Å; H500-E570 PolarHBondContact N-OE2 3.44Å; H501-E570 IonicContact CE1-OE1 3.34Å; H501-E570 IonicContact CG-OE1 2.63Å; H501-E570 PolarHBondContact N-OE2 2.9Å; H501-E570 IonicContact ND1-OE1 3.24Å; H501-E570 PolarHBondContact ND1-OE1 3.03Å; H501-E570 IonicContact ND1-OE2 3.67Å; I504-E570 HydrophobicContact CD1-CG 3.54Å; I504-E570 WeakPolarHBondContact CD1-OE1 3.14Å; I504-E570 WeakPolarHBondContact CD1-OE2 3.36Å; I551-E570 HydrophobicContact CD1-CB 4.31Å; I551-E570 WeakPolarHBondContact CD1-O 3.46Å; F568-E570 PolarHBondContact O-N 3.5Å
571	L	92.3	Very high	88.3	Confident	1 Å²	1	25.5 Å²	25.5	1%	0.005	14%	0.135	C	C	.	.			trans	-74.8	157.7	169.2	-65.7	-174.4	0	0	0	110.6	Y470 Y598 V600 D606 L609 W610	Y470-L571 WeakPolarHBondContact CE2-O 3.44Å; Y470-L571 VanDerWaalsContact CZ-O 3.26Å; Y470-L571 PolarHBondContact OH-O 3.17Å; L571-Y598 HydrophobicContact CD2-CD1 3.54Å; L571-Y598 HydrophobicContact CD2-CE1 4.34Å; L571-Y598 HydrophobicContact CD2-CG 4.17Å; L571-V600 HydrophobicContact CD1-CG1 3.93Å; L571-V600 HydrophobicContact CD2-CG1 4.23Å; L571-V600 HydrophobicContact CG-CG1 4.22Å; L571-D606 HydrophobicContact CD1-CB 3.94Å; L571-L609 HydrophobicContact CB-CB 4.31Å; L571-L609 HydrophobicContact CB-CD1 4.16Å; L571-L609 HydrophobicContact CD1-CB 3.96Å; L571-W610 HydrophobicContact CD1-CB 4.03Å; L571-W610 HydrophobicContact CD1-CE3 4.1Å; L571-W610 HydrophobicContact CD2-CE3 3.94Å; L571-W610 HydrophobicContact CD2-CZ3 4.19Å
572	F	90.1	Very high	88.5	Confident	16 Å²	16	23.3 Å²	23.3	7%	0.07	12%	0.121	C	C	.	.			trans	-132.4	141.5	173.8	-163.7	-115.4	0	0	0	110.3	H500 I551 N574 V577 L578	H500-F572 AromaticContact CE1-CE2 3.77Å; H500-F572 AromaticContact ND1-CE2 3.77Å; I551-F572 HydrophobicContact CD1-CB 4.3Å; I551-F572 HydrophobicContact CG2-CB 3.97Å; I551-F572 HydrophobicContact CG2-CD1 4.14Å; I551-F572 HydrophobicContact CG2-CD2 4.32Å; I551-F572 HydrophobicContact CG2-CG 3.89Å; F572-N574 VanDerWaalsContact C-N 3.27Å; F572-N574 HydrophobicContact CD1-CB 3.86Å; F572-N574 HydrophobicContact CE1-CB 3.72Å; F572-N574 PolarHBondContact O-N 3.48Å; F572-V577 HydrophobicContact CD1-CB 3.9Å; F572-V577 HydrophobicContact CD1-CG1 4.04Å; F572-V577 HydrophobicContact CD1-CG2 4.37Å; F572-V577 HydrophobicContact CE1-CB 3.98Å; F572-V577 HydrophobicContact CE1-CG1 4.1Å; F572-V577 HydrophobicContact CE1-CG2 3.96Å; F572-L578 HydrophobicContact CB-CD1 4.42Å; F572-L578 HydrophobicContact CB-CD2 3.82Å; F572-L578 HydrophobicContact CB-CG 4.12Å
573	W	84.5	Confident	88.5	Confident	62 Å²	62	24.5 Å²	24.5	24%	0.235	12%	0.122	C	C	.	.	S	Bend	trans	-73.4	-17.2	-172.7	58.7	84.8	0	0	0	114.2	L467 Y470 P575 L609 K616	L467-W573 HydrophobicContact CD2-CH2 4.12Å; L467-W573 HydrophobicContact CD2-CZ3 4.36Å; Y470-W573 AromaticContact CD1-CZ3 3.83Å; Y470-W573 HydrophobicContact CD1-CZ3 3.83Å; Y470-W573 HydrophobicContact CE1-CE3 4.42Å; Y470-W573 AromaticContact CE1-CZ3 3.7Å; Y470-W573 HydrophobicContact CE1-CZ3 3.7Å; W573-P575 WeakPolarHBondContact O-CD 3.39Å; W573-L609 HydrophobicContact CB-CD2 3.93Å; W573-K616 PolarHBondContact O-NZ 2.99Å
574	N	84.5	Confident	88.3	Confident	70 Å²	70	26.7 Å²	26.7	37%	0.374	13%	0.13	S	C	.	.			trans	-97.1	108.3	176.5	-171.3	-14.6	0	0	0	110.7	F572 G576 V577 L578	F572-N574 VanDerWaalsContact C-N 3.27Å; F572-N574 HydrophobicContact CD1-CB 3.86Å; F572-N574 HydrophobicContact CE1-CB 3.72Å; F572-N574 PolarHBondContact O-N 3.48Å; N574-G576 VanDerWaalsContact C-N 3.28Å; N574-G576 PolarHBondContact O-N 3.28Å; N574-G576 PolarHBondContact OD1-N 2.74Å; N574-V577 HydrophobicContact CB-CB 4.44Å; N574-V577 HydrophobicContact CB-CG2 4.09Å; N574-V577 PolarHBondContact O-N 3.34Å; N574-L578 PolarHBondContact O-N 3.1Å
575	P	84.1	Confident	87.9	Confident	11 Å²	11	21.8 Å²	21.8	7%	0.071	11%	0.112	C	C	.	.	H	α-helix	trans	-60.5	-35.1	178	25.8	-36.2	0	0	0	112.9	W573 V577 L578 I579 L613 K616 L617 L620	W573-P575 WeakPolarHBondContact O-CD 3.39Å; P575-V577 VanDerWaalsContact C-N 3.26Å; P575-V577 PolarHBondContact O-N 2.96Å; P575-L578 PolarHBondContact O-N 3.24Å; P575-L578 VanDerWaalsContact O-N 3.1Å; P575-I579 WeakPolarHBondContact O-CG1 3.2Å; P575-I579 PolarHBondContact O-N 3.15Å; P575-L613 HydrophobicContact CB-CD1 3.71Å; P575-K616 HydrophobicContact CB-CB 4.41Å; P575-K616 HydrophobicContact CG-CB 3.86Å; P575-K616 HydrophobicContact CG-CD 3.83Å; P575-K616 HydrophobicContact CG-CG 4.49Å; P575-L617 HydrophobicContact CB-CD2 3.9Å; P575-L617 HydrophobicContact CB-CG 4.29Å; P575-L620 HydrophobicContact CB-CD1 4.39Å; P575-L620 HydrophobicContact CG-CD1 4.38Å
576	G	83.5	Confident	87.1	Confident	26 Å²	26	23 Å²	23	27%	0.268	12%	0.117	S	C	.	.	H	α-helix	trans	-63	-34.6	-177.6	0	0	0	0	0	112.4	N574 Q580	N574-G576 VanDerWaalsContact C-N 3.28Å; N574-G576 PolarHBondContact O-N 3.28Å; N574-G576 PolarHBondContact OD1-N 2.74Å; G576-Q580 WeakPolarHBondContact O-CB 3.22Å; G576-Q580 WeakPolarHBondContact O-CG 3.47Å; G576-Q580 PolarHBondContact O-N 3.23Å
577	V	85.1	Confident	85.9	Confident	28 Å²	28	30.2 Å²	30.2	17%	0.17	15%	0.145	C	C	.	.	H	α-helix	trans	-70.9	-37.9	175.4	177.5	0	0	0	0	111.2	I551 F572 N574 P575 Q580 A581	I551-V577 HydrophobicContact CG2-CG1 3.71Å; I551-V577 WeakPolarHBondContact O-CG1 3.45Å; F572-V577 HydrophobicContact CD1-CB 3.9Å; F572-V577 HydrophobicContact CD1-CG1 4.04Å; F572-V577 HydrophobicContact CD1-CG2 4.37Å; F572-V577 HydrophobicContact CE1-CB 3.98Å; F572-V577 HydrophobicContact CE1-CG1 4.1Å; F572-V577 HydrophobicContact CE1-CG2 3.96Å; N574-V577 HydrophobicContact CB-CB 4.44Å; N574-V577 HydrophobicContact CB-CG2 4.09Å; N574-V577 PolarHBondContact O-N 3.34Å; P575-V577 VanDerWaalsContact C-N 3.26Å; P575-V577 PolarHBondContact O-N 2.96Å; V577-Q580 PolarHBondContact O-N 3.39Å; V577-A581 WeakPolarHBondContact O-CB 3.38Å; V577-A581 PolarHBondContact O-N 3.26Å
578	L	87.4	Confident	83.9	Confident	2 Å²	2	37.4 Å²	37.4	1%	0.01	19%	0.188	C	C	.	.	H	α-helix	trans	-66.7	-46.3	176.3	-65.7	176.8	0	0	0	111.5	I551 F568 F572 N574 P575 Q580 A581 E582 Y598 L613	I551-L578 HydrophobicContact CG2-CD2 4.41Å; F568-L578 HydrophobicContact CD1-CD2 3.67Å; F568-L578 HydrophobicContact CE1-CD2 3.45Å; F568-L578 VanDerWaalsContact CE1-CD2 3.45Å; F568-L578 HydrophobicContact CG-CD2 4.48Å; F568-L578 HydrophobicContact CZ-CD2 4.09Å; F572-L578 HydrophobicContact CB-CD1 4.42Å; F572-L578 HydrophobicContact CB-CD2 3.82Å; F572-L578 HydrophobicContact CB-CG 4.12Å; N574-L578 PolarHBondContact O-N 3.1Å; P575-L578 PolarHBondContact O-N 3.24Å; P575-L578 VanDerWaalsContact O-N 3.1Å; L578-Q580 VanDerWaalsContact C-N 3.33Å; L578-Q580 PolarHBondContact O-N 3.02Å; L578-A581 WeakPolarHBondContact O-CA 3.34Å; L578-A581 WeakPolarHBondContact O-CB 3.46Å; L578-A581 PolarHBondContact O-N 2.89Å; L578-E582 WeakPolarHBondContact O-CG 3.46Å; L578-E582 PolarHBondContact O-N 2.8Å; L578-Y598 HydrophobicContact CD1-CE1 4.17Å; L578-Y598 HydrophobicContact CD2-CE1 4.38Å; L578-L613 HydrophobicContact CD1-CD1 3.69Å; L578-L613 HydrophobicContact CD1-CD2 3.52Å; L578-L613 HydrophobicContact CD1-CG 4.27Å
579	I	84.7	Confident	81.7	Confident	34 Å²	34	41 Å²	41	17%	0.174	23%	0.225	C	C	.	.	H	α-helix	trans	-58.4	-47.4	175	-66	166.5	0	0	0	110.1	P575 A581 E582 D583 L617 L620	P575-I579 WeakPolarHBondContact O-CG1 3.2Å; P575-I579 PolarHBondContact O-N 3.15Å; I579-A581 PolarHBondContact O-N 3.19Å; I579-E582 WeakPolarHBondContact O-CB 3.27Å; I579-E582 PolarHBondContact O-N 3.36Å; I579-D583 WeakPolarHBondContact O-CB 3.11Å; I579-D583 PolarHBondContact O-N 3.3Å; I579-L617 HydrophobicContact CD1-CD2 3.63Å; I579-L617 HydrophobicContact CG1-CD2 4Å; I579-L620 HydrophobicContact CD1-CD1 4.01Å
580	Q	84.8	Confident	79.9	Confident	84 Å²	84	42.9 Å²	42.9	39%	0.393	23%	0.234	S	C	.	.	H	α-helix	trans	-60.8	-32.5	176.3	-77.1	178.5	13.1	0	0	113.1	G576 V577 L578 R584	G576-Q580 WeakPolarHBondContact O-CB 3.22Å; G576-Q580 WeakPolarHBondContact O-CG 3.47Å; G576-Q580 PolarHBondContact O-N 3.23Å; V577-Q580 PolarHBondContact O-N 3.39Å; L578-Q580 VanDerWaalsContact C-N 3.33Å; L578-Q580 PolarHBondContact O-N 3.02Å; Q580-R584 WeakPolarHBondContact O-CG 3.39Å; Q580-R584 PolarHBondContact O-NE 3.29Å; Q580-R584 VanDerWaalsContact O-NE 3.16Å
581	A	86.2	Confident	78.2	Confident	0 Å²	0	49.6 Å²	49.6	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-72.3	-42.7	176.3	0	0	0	0	0	111.5	F498 A554 F568 V577 L578 I579 D583 R584	F498-A581 HydrophobicContact CD1-CB 4.31Å; F498-A581 HydrophobicContact CD2-CB 4.46Å; F498-A581 HydrophobicContact CE1-CB 3.91Å; F498-A581 HydrophobicContact CE2-CB 4.07Å; F498-A581 HydrophobicContact CZ-CB 3.79Å; F498-A581 WeakPolarHBondContact CZ-O 3.26Å; A554-A581 HydrophobicContact CB-CB 3.6Å; F568-A581 HydrophobicContact CE1-CB 3.84Å; F568-A581 HydrophobicContact CZ-CB 3.71Å; V577-A581 WeakPolarHBondContact O-CB 3.38Å; V577-A581 PolarHBondContact O-N 3.26Å; L578-A581 WeakPolarHBondContact O-CA 3.34Å; L578-A581 WeakPolarHBondContact O-CB 3.46Å; L578-A581 PolarHBondContact O-N 2.89Å; I579-A581 PolarHBondContact O-N 3.19Å; A581-D583 VanDerWaalsContact C-N 3.34Å; A581-R584 WeakPolarHBondContact O-CB 3.5Å; A581-R584 WeakPolarHBondContact O-CG 3.4Å; A581-R584 PolarHBondContact O-N 3.38Å
582	E	86.9	Confident	77.4	Confident	1 Å²	1	50.6 Å²	50.6	1%	0.005	27%	0.274	C	S	.	.	H	α-helix	trans	-60.8	-42.3	173	-67.6	176.2	173.8	0	0	111.8	R432 F568 L578 I579 R584 A585 H586 V596 Y598	R432-E582 IonicContact CZ-OE1 2.79Å; R432-E582 IonicContact CZ-OE2 3.37Å; R432-E582 IonicContact NE-OE1 2.67Å; R432-E582 PolarHBondContact NE-OE1 3Å; R432-E582 IonicContact NE-OE2 3.86Å; R432-E582 PolarHBondContact NE-OE2 3.49Å; R432-E582 IonicContact NH2-OE1 3.19Å; R432-E582 IonicContact NH2-OE2 2.82Å; R432-E582 PolarHBondContact NH2-OE2 3.39Å; F568-E582 HydrophobicContact CE2-CG 3.79Å; F568-E582 HydrophobicContact CZ-CG 4.03Å; L578-E582 WeakPolarHBondContact O-CG 3.46Å; L578-E582 PolarHBondContact O-N 2.8Å; I579-E582 WeakPolarHBondContact O-CB 3.27Å; I579-E582 PolarHBondContact O-N 3.36Å; E582-R584 PolarHBondContact O-N 3.41Å; E582-R584 VanDerWaalsContact O-N 3.08Å; E582-A585 PolarHBondContact O-N 2.76Å; E582-H586 PolarHBondContact O-N 3.4Å; E582-V596 HydrophobicContact CB-CG2 4.4Å; E582-V596 HydrophobicContact CG-CG1 3.93Å; E582-V596 HydrophobicContact CG-CG2 3.85Å; E582-Y598 PolarHBondContact OE1-OH 2.79Å
583	D	84	Confident	77	Confident	60 Å²	60	49.9 Å²	49.9	32%	0.321	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.9	-14.3	177.5	-70.3	-23.1	0	0	0	113.2	K430 I579 A581 A585 H586	K430-D583 WeakPolarHBondContact CE-OD1 3.25Å; K430-D583 IonicContact NZ-OD1 3.32Å; K430-D583 PolarHBondContact NZ-OD1 3.24Å; I579-D583 WeakPolarHBondContact O-CB 3.11Å; I579-D583 PolarHBondContact O-N 3.3Å; A581-D583 VanDerWaalsContact C-N 3.34Å; D583-A585 VanDerWaalsContact C-N 3.26Å; D583-A585 PolarHBondContact O-N 3.24Å; D583-H586 CarbonylContact C-O 3.5Å; D583-H586 CarbonylContact O-C 3.57Å; D583-H586 PolarHBondContact O-N 3.16Å
584	R	81.7	Confident	77.2	Confident	47 Å²	47	47 Å²	47	18%	0.177	26%	0.261	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.9	-26.7	171.9	-53.3	-57.2	162.1	-161.4	-1.5	112.6	A554 I558 L560 Q580 A581 E582	A554-R584 PolarHBondContact O-NE 3.11Å; A554-R584 PolarHBondContact O-NH2 3.36Å; I558-R584 HydrophobicContact CG1-CG 4.36Å; I558-R584 WeakPolarHBondContact O-CD 3.24Å; L560-R584 PolarHBondContact N-O 2.6Å; Q580-R584 WeakPolarHBondContact O-CG 3.39Å; Q580-R584 PolarHBondContact O-NE 3.29Å; Q580-R584 VanDerWaalsContact O-NE 3.16Å; A581-R584 WeakPolarHBondContact O-CB 3.5Å; A581-R584 WeakPolarHBondContact O-CG 3.4Å; A581-R584 PolarHBondContact O-N 3.38Å; E582-R584 PolarHBondContact O-N 3.41Å; E582-R584 VanDerWaalsContact O-N 3.08Å
585	A	77.8	Confident	77.4	Confident	0 Å²	0	44.3 Å²	44.3	0%	0	25%	0.246	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95.9	-17.3	174.6	0	0	0	0	0	113.1	I496 V566 E582 D583 Q590 V594	I496-A585 HydrophobicContact CD1-CB 3.83Å; V566-A585 HydrophobicContact CG2-CB 3.32Å; E582-A585 PolarHBondContact O-N 2.76Å; D583-A585 VanDerWaalsContact C-N 3.26Å; D583-A585 PolarHBondContact O-N 3.24Å; A585-Q590 PolarHBondContact O-NE2 3.48Å; A585-Q590 PolarHBondContact O-OE1 3.12Å; A585-Q590 VanDerWaalsContact O-OE1 3.06Å; A585-V594 HydrophobicContact CB-CG1 4.06Å; A585-V594 WeakPolarHBondContact O-CG2 3.19Å
586	H	74.2	Confident	77.8	Confident	36 Å²	36	43.8 Å²	43.8	17%	0.167	24%	0.243	C	C	.	.	S	Bend	trans	-123.1	97.7	179.8	-178.6	-89.9	0	0	0	110.4	P429 K430 E582 D583 V594	P429-H586 WeakPolarHBondContact CB-NE2 3.23Å; K430-H586 HydrophobicContact CG-CB 4.48Å; E582-H586 PolarHBondContact O-N 3.4Å; D583-H586 CarbonylContact C-O 3.5Å; D583-H586 CarbonylContact O-C 3.57Å; D583-H586 PolarHBondContact O-N 3.16Å; H586-V594 HydrophobicContact CB-CB 4.42Å; H586-V594 HydrophobicContact CB-CG2 3.83Å
587	R	69	Low	78.3	Confident	153 Å²	153	43.2 Å²	43.2	58%	0.577	23%	0.233	S	C	*	.			trans	-103.8	145.9	179.3	-165.8	166.9	-177.9	-179	-4.6	111.9	T559 T561 G589 Q590	T559-R587 PolarHBondContact OG1-NH1 3.18Å; T561-R587 HydrophobicContact CG2-CB 4.21Å; R587-G589 PolarHBondContact O-N 3.39Å; R587-Q590 WeakPolarHBondContact O-CB 3.49Å; R587-Q590 PolarHBondContact O-N 3.27Å
588	V	53.3	Low	78.8	Confident	150 Å²	150	42 Å²	42	91%	0.909	23%	0.225	S	C	*	.	T	Hydrogen-bonded Turn	trans	-51.9	123.2	174.5	-178.6	0	0	0	0	110.4
589	G	51.8	Low	79.2	Confident	75 Å²	75	41.9 Å²	41.9	77%	0.773	23%	0.225	S	C	*	.	T	Hydrogen-bonded Turn	trans	100.3	-11.8	-173.4	0	0	0	0	0	114.7	R587	R587-G589 PolarHBondContact O-N 3.39Å
590	Q	56.9	Low	79.7	Confident	41 Å²	41	40.8 Å²	40.8	19%	0.192	22%	0.22	C	C	.	.			trans	-74.9	120.7	166.6	-174.2	174.2	-34.6	0	0	108.7	A585 R587 D592	A585-Q590 PolarHBondContact O-NE2 3.48Å; A585-Q590 PolarHBondContact O-OE1 3.12Å; A585-Q590 VanDerWaalsContact O-OE1 3.06Å; R587-Q590 WeakPolarHBondContact O-CB 3.49Å; R587-Q590 PolarHBondContact O-N 3.27Å; Q590-D592 VanDerWaalsContact C-N 3.31Å; Q590-D592 HydrophobicContact CG-CB 4.5Å
591	L	60.4	Low	80	Confident	144 Å²	144	36.8 Å²	36.8	75%	0.754	20%	0.201	S	C	*	.			trans	-79.3	-15.7	-179.4	-67	171.3	0	0	0	112.3	L424	L424-L591 WeakPolarHBondContact CD1-O 3.44Å; L424-L591 HydrophobicContact CD2-CB 4.05Å; L424-L591 WeakPolarHBondContact CD2-O 3.46Å
592	D	73.6	Confident	80.1	Confident	23 Å²	23	40.9 Å²	40.9	12%	0.123	22%	0.219	C	C	.	.	S	Bend	trans	-92.7	144.3	-168.7	-70.4	-26	0	0	0	115.6	R564 Q590	R564-D592 IonicContact CZ-OD2 3.03Å; R564-D592 VanDerWaalsContact CZ-OD2 3.22Å; R564-D592 IonicContact NE-OD2 2.91Å; R564-D592 PolarHBondContact NE-OD2 3.25Å; R564-D592 IonicContact NH2-OD2 2.69Å; R564-D592 PolarHBondContact NH2-OD2 3.38Å; Q590-D592 VanDerWaalsContact C-N 3.31Å; Q590-D592 HydrophobicContact CG-CB 4.5Å
593	S	83.3	Confident	80.1	Confident	1 Å²	1	41.3 Å²	41.3	1%	0.007	22%	0.224	C	C	.	.	P	Polyproline II helix	trans	-69.4	129	172.7	-174.7	0	0	0	0	113.2	K420 P428 P429	K420-S593 PolarHBondContact NZ-O 3.3Å; P428-S593 VanDerWaalsContact O-CB 3.31Å; P428-S593 WeakPolarHBondContact O-CB 3.31Å; P428-S593 PolarHBondContact O-OG 3.13Å; P429-S593 VanDerWaalsContact O-CA 3.3Å; P429-S593 WeakPolarHBondContact O-CA 3.24Å
594	V	87.5	Confident	80.5	Confident	1 Å²	1	38.6 Å²	38.6	1%	0.006	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	131.6	177	175.8	0	0	0	0	111.1	P429 K430 I431 V566 A585 H586 V596	P429-V594 PolarHBondContact O-N 2.96Å; K430-V594 CarbonylContact C-O 3.45Å; K430-V594 VanDerWaalsContact CA-O 3.32Å; K430-V594 WeakPolarHBondContact CA-O 3.42Å; I431-V594 PolarHBondContact N-O 2.93Å; V566-V594 HydrophobicContact CG2-CG1 4.05Å; A585-V594 HydrophobicContact CB-CG1 4.06Å; A585-V594 WeakPolarHBondContact O-CG2 3.19Å; H586-V594 HydrophobicContact CB-CB 4.42Å; H586-V594 HydrophobicContact CB-CG2 3.83Å; V594-V596 HydrophobicContact CG1-CG2 4.19Å
595	L	89.8	Confident	80.9	Confident	13 Å²	13	36.3 Å²	36.3	7%	0.068	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	123.7	172.1	178	61.2	0	0	0	109.5	I431 K433 R564 L565 V566 E597	I431-L595 HydrophobicContact CB-CD1 4.21Å; I431-L595 HydrophobicContact CG2-CD1 3.99Å; I431-L595 WeakPolarHBondContact O-CA 3.49Å; K433-L595 HydrophobicContact CB-CD1 4.29Å; R564-L595 PolarHBondContact O-N 2.84Å; L565-L595 WeakPolarHBondContact CA-O 3.48Å; L565-L595 HydrophobicContact CD1-CB 4.26Å; L565-L595 HydrophobicContact CD1-CD2 3.96Å; L565-L595 HydrophobicContact CD1-CG 3.97Å; V566-L595 PolarHBondContact N-O 2.81Å; L595-E597 HydrophobicContact CD2-CG 4.45Å; L595-E597 HydrophobicContact CG-CG 4.2Å
596	V	92.2	Very high	81.6	Confident	0 Å²	0	36.4 Å²	36.4	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	118.9	177	-175.3	0	0	0	0	109	I431 R432 K433 V566 F568 E582 V594 Y598	I431-V596 PolarHBondContact O-N 3.37Å; R432-V596 CarbonylContact C-O 3.58Å; R432-V596 WeakPolarHBondContact CA-O 3.48Å; R432-V596 HydrophobicContact CG-CB 4.13Å; K433-V596 PolarHBondContact N-O 3.02Å; V566-V596 HydrophobicContact CB-CG1 4.45Å; V566-V596 HydrophobicContact CB-CG2 4.36Å; V566-V596 HydrophobicContact CG1-CG1 4.43Å; V566-V596 CarbonylContact O-C 3.55Å; V566-V596 WeakPolarHBondContact O-CA 3.37Å; F568-V596 HydrophobicContact CD2-CG1 3.67Å; F568-V596 HydrophobicContact CE2-CG1 3.52Å; E582-V596 HydrophobicContact CB-CG2 4.4Å; E582-V596 HydrophobicContact CG-CG1 3.93Å; E582-V596 HydrophobicContact CG-CG2 3.85Å; V594-V596 HydrophobicContact CG1-CG2 4.19Å; V596-Y598 HydrophobicContact CB-CE2 4.45Å; V596-Y598 HydrophobicContact CG1-CD2 4.12Å; V596-Y598 HydrophobicContact CG1-CE2 3.53Å
597	E	94.1	Very high	82.4	Confident	15 Å²	15	37.5 Å²	37.5	7%	0.07	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	122.8	179.9	-69.6	175.4	160.1	0	0	110.2	K433 V435 Y484 L565 V566 V567 F568 L595	K433-E597 HydrophobicContact CB-CG 4.43Å; K433-E597 CarbonylContact O-C 3.6Å; K433-E597 WeakPolarHBondContact O-CA 3.4Å; V435-E597 HydrophobicContact CG2-CB 4.06Å; V435-E597 HydrophobicContact CG2-CG 4.2Å; Y484-E597 VanDerWaalsContact OH-CD 3.24Å; Y484-E597 PolarHBondContact OH-OE1 2.98Å; Y484-E597 PolarHBondContact OH-OE2 3.25Å; L565-E597 HydrophobicContact CD1-CG 4.08Å; L565-E597 WeakPolarHBondContact CD1-OE2 3.3Å; V566-E597 PolarHBondContact O-N 3.25Å; V567-E597 CarbonylContact C-O 3.38Å; V567-E597 WeakPolarHBondContact CA-O 3.39Å; V567-E597 HydrophobicContact CG2-CB 4.4Å; F568-E597 PolarHBondContact N-O 3.07Å; L595-E597 HydrophobicContact CD2-CG 4.45Å; L595-E597 HydrophobicContact CG-CG 4.2Å
598	Y	95	Very high	83.2	Confident	1 Å²	1	34.1 Å²	34.1	0%	0.004	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	112.4	175.2	-71.9	-81.3	0	0	0	109.4	R432 K433 V435 F568 L571 L578 E582 V596 V600 W610 L613	R432-Y598 HydrophobicContact CB-CE2 4.38Å; R432-Y598 HydrophobicContact CG-CE2 4.32Å; K433-Y598 PolarHBondContact O-N 3.27Å; V435-Y598 PolarHBondContact N-O 3.45Å; F568-Y598 HydrophobicContact CB-CD1 3.63Å; F568-Y598 HydrophobicContact CB-CE1 3.97Å; F568-Y598 HydrophobicContact CB-CG 4.48Å; F568-Y598 HydrophobicContact CD1-CE1 4.35Å; F568-Y598 AromaticContact CD2-CD1 3.77Å; F568-Y598 HydrophobicContact CD2-CD1 3.77Å; F568-Y598 AromaticContact CD2-CE1 3.37Å; F568-Y598 HydrophobicContact CD2-CE1 3.37Å; F568-Y598 HydrophobicContact CD2-CE2 4.43Å; F568-Y598 HydrophobicContact CD2-CG 4.49Å; F568-Y598 AromaticContact CD2-CZ 3.75Å; F568-Y598 AromaticContact CE2-CE1 3.89Å; F568-Y598 HydrophobicContact CE2-CE1 3.89Å; F568-Y598 AromaticContact CE2-CZ 3.92Å; F568-Y598 AromaticContact CG-CD1 3.84Å; F568-Y598 HydrophobicContact CG-CD1 3.84Å; F568-Y598 AromaticContact CG-CE1 3.64Å; F568-Y598 HydrophobicContact CG-CE1 3.64Å; L571-Y598 HydrophobicContact CD2-CD1 3.54Å; L571-Y598 HydrophobicContact CD2-CE1 4.34Å; L571-Y598 HydrophobicContact CD2-CG 4.17Å; L578-Y598 HydrophobicContact CD1-CE1 4.17Å; L578-Y598 HydrophobicContact CD2-CE1 4.38Å; E582-Y598 PolarHBondContact OE1-OH 2.79Å; V596-Y598 HydrophobicContact CB-CE2 4.45Å; V596-Y598 HydrophobicContact CG1-CD2 4.12Å; V596-Y598 HydrophobicContact CG1-CE2 3.53Å; Y598-V600 PolarHBondContact O-N 3.42Å; Y598-W610 HydrophobicContact CD1-CZ3 4.16Å; Y598-W610 AromaticContact CD2-CH2 3.84Å; Y598-W610 HydrophobicContact CD2-CH2 3.84Å; Y598-W610 AromaticContact CD2-CZ3 3.87Å; Y598-W610 HydrophobicContact CD2-CZ3 3.87Å; Y598-W610 HydrophobicContact CE2-CH2 4.47Å; Y598-W610 HydrophobicContact CE2-CZ3 4.44Å; Y598-W610 HydrophobicContact CG-CH2 4.08Å; Y598-W610 AromaticContact CG-CZ3 3.69Å; Y598-W610 HydrophobicContact CG-CZ3 3.69Å; Y598-L613 HydrophobicContact CE1-CD2 4.49Å
599	L	96	Very high	84.9	Confident	0 Å²	0	27.2 Å²	27.2	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77	119.6	175.9	-52.5	-166.4	0	0	0	108.6	V435 L437 K477 I481 Y484 V567 F568	V435-L599 HydrophobicContact CB-CD2 3.66Å; V435-L599 HydrophobicContact CG1-CD2 3.88Å; V435-L599 HydrophobicContact CG2-CD2 4.17Å; L437-L599 HydrophobicContact CD1-CB 4.25Å; L437-L599 HydrophobicContact CD2-CB 4.2Å; L437-L599 HydrophobicContact CD2-CD1 4.29Å; L437-L599 HydrophobicContact CG-CB 4.27Å; K477-L599 PolarHBondContact NZ-O 2.75Å; I481-L599 HydrophobicContact CG1-CD1 4.22Å; I481-L599 HydrophobicContact CG2-CD1 4.33Å; Y484-L599 HydrophobicContact CD1-CD1 3.75Å; Y484-L599 HydrophobicContact CD1-CD2 3.59Å; Y484-L599 HydrophobicContact CD1-CG 4.34Å; Y484-L599 HydrophobicContact CE1-CD1 4.39Å; Y484-L599 HydrophobicContact CE1-CD2 3.49Å; Y484-L599 VanDerWaalsContact CE1-CD2 3.49Å; Y484-L599 HydrophobicContact CG-CD1 4.41Å; Y484-L599 HydrophobicContact CG-CD2 4.24Å; V567-L599 HydrophobicContact CG1-CD1 3.96Å; V567-L599 HydrophobicContact CG1-CD2 3.87Å; V567-L599 HydrophobicContact CG1-CG 3.8Å; F568-L599 WeakPolarHBondContact O-CB 3.34Å; F568-L599 WeakPolarHBondContact O-CG 3.39Å; F568-L599 PolarHBondContact O-N 3.49Å
600	V	94.5	Very high	86.7	Confident	11 Å²	11	25.1 Å²	25.1	7%	0.067	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	151.3	-179.2	-54.7	0	0	0	0	111.6	T434 V435 V436 L437 L571 Y598 D606	T434-V600 HydrophobicContact CG2-CB 4.18Å; T434-V600 HydrophobicContact CG2-CG1 3.88Å; T434-V600 HydrophobicContact CG2-CG2 3.2Å; V435-V600 PolarHBondContact O-N 2.9Å; V436-V600 WeakPolarHBondContact CA-O 3.39Å; V436-V600 HydrophobicContact CG2-CG2 3.91Å; L437-V600 WeakPolarHBondContact CB-O 3.3Å; L437-V600 PolarHBondContact N-O 3.07Å; L571-V600 HydrophobicContact CD1-CG1 3.93Å; L571-V600 HydrophobicContact CD2-CG1 4.23Å; L571-V600 HydrophobicContact CG-CG1 4.22Å; Y598-V600 PolarHBondContact O-N 3.42Å; V600-D606 VanDerWaalsContact CA-OD2 3.3Å; V600-D606 WeakPolarHBondContact CA-OD2 3.46Å; V600-D606 HydrophobicContact CB-CB 4.14Å
601	A	92.8	Very high	88.2	Confident	1 Å²	1	26.9 Å²	26.9	1%	0.008	14%	0.139	C	C	.	.			trans	-125.9	122.5	176.1	0	0	0	0	0	111.3	I442 K477 T604 D606	I442-A601 HydrophobicContact CD1-CB 3.54Å; K477-A601 HydrophobicContact CD-CB 4.08Å; K477-A601 HydrophobicContact CG-CB 3.74Å; A601-T604 HydrophobicContact CB-CG2 3.63Å; A601-T604 WeakPolarHBondContact O-CB 3.43Å; A601-T604 PolarHBondContact O-N 3.21Å; A601-T604 PolarHBondContact O-OG1 3.42Å; A601-D606 PolarHBondContact N-OD2 3.47Å
602	K	88.5	Confident	89.4	Confident	85 Å²	85	23 Å²	23	37%	0.37	12%	0.118	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.1	142.7	174.5	-70.1	-167.8	171.1	-175.6	0	111.3	E260 V436 T604 D607	E260-K602 WeakPolarHBondContact OE1-CE 3.41Å; E260-K602 IonicContact OE1-NZ 2.6Å; E260-K602 PolarHBondContact OE1-NZ 3.46Å; E260-K602 WeakPolarHBondContact OE2-CE 3.32Å; E260-K602 IonicContact OE2-NZ 2.68Å; E260-K602 PolarHBondContact OE2-NZ 3.15Å; V436-K602 HydrophobicContact CG1-CG 4.38Å; K602-T604 VanDerWaalsContact C-N 3.32Å; K602-D607 WeakPolarHBondContact CA-OD1 3.39Å
603	G	86.8	Confident	90	Very high	11 Å²	11	22.1 Å²	22.1	11%	0.113	11%	0.113	C	C	.	.	T	Hydrogen-bonded Turn	trans	82.2	4.8	-177.3	0	0	0	0	0	114.5	L446 D607	L446-G603 VanDerWaalsContact CD1-O 3.3Å; L446-G603 WeakPolarHBondContact CD1-O 3.43Å; G603-D607 VanDerWaalsContact CA-OD2 3.3Å; G603-D607 WeakPolarHBondContact CA-OD2 3.25Å; G603-D607 PolarHBondContact N-OD2 2.68Å
604	T	91	Very high	90.1	Very high	2 Å²	2	25.7 Å²	25.7	1%	0.012	13%	0.129	C	C	.	.	S	Bend	trans	-111.2	-176.1	-179	76.1	0	0	0	0	111.7	L446 L449 F469 T473 A601 K602 D606 D607	L446-T604 HydrophobicContact CD1-CG2 4.2Å; L449-T604 HydrophobicContact CD1-CG2 3.88Å; F469-T604 VanDerWaalsContact CZ-C 3.4Å; T473-T604 HydrophobicContact CG2-CG2 4.33Å; T473-T604 WeakPolarHBondContact CG2-OG1 3.36Å; A601-T604 HydrophobicContact CB-CG2 3.63Å; A601-T604 WeakPolarHBondContact O-CB 3.43Å; A601-T604 PolarHBondContact O-N 3.21Å; A601-T604 PolarHBondContact O-OG1 3.42Å; K602-T604 VanDerWaalsContact C-N 3.32Å; T604-D606 PolarHBondContact O-N 3.34Å; T604-D606 VanDerWaalsContact O-N 3.09Å; T604-D606 WeakPolarHBondContact OG1-CB 3.35Å; T604-D606 PolarHBondContact OG1-N 3.29Å; T604-D607 PolarHBondContact O-N 3.46Å
605	A	91.1	Very high	89.9	Confident	0 Å²	0	33.7 Å²	33.7	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-57.8	-22.3	173.6	0	0	0	0	0	112.6	L466 F469 T473 D607 Q608 L609	L466-A605 HydrophobicContact CD1-CB 4.49Å; F469-A605 HydrophobicContact CD1-CB 3.65Å; F469-A605 HydrophobicContact CD2-CB 4.21Å; F469-A605 VanDerWaalsContact CE1-CA 3.4Å; F469-A605 HydrophobicContact CE1-CB 3.75Å; F469-A605 HydrophobicContact CE2-CB 4.28Å; F469-A605 HydrophobicContact CG-CB 3.89Å; F469-A605 HydrophobicContact CZ-CB 4.07Å; T473-A605 HydrophobicContact CG2-CB 4.3Å; T473-A605 VanDerWaalsContact OG1-CB 3.23Å; T473-A605 WeakPolarHBondContact OG1-CB 3.4Å; T473-A605 PolarHBondContact OG1-N 3.16Å; T473-A605 VanDerWaalsContact OG1-N 3.07Å; A605-D607 PolarHBondContact O-N 3.36Å; A605-Q608 PolarHBondContact O-N 2.96Å; A605-L609 HydrophobicContact CB-CD1 4.26Å; A605-L609 WeakPolarHBondContact O-CB 3.43Å; A605-L609 WeakPolarHBondContact O-CG 3.36Å; A605-L609 PolarHBondContact O-N 3.18Å
606	D	92.9	Very high	89.5	Confident	2 Å²	2	36.6 Å²	36.6	1%	0.011	17%	0.171	C	C	.	.	H	α-helix	trans	-58.5	-34.2	178.6	-68.1	-23.8	0	0	0	112.8	K477 L571 V600 A601 T604 Q608 L609 W610	K477-D606 VanDerWaalsContact CD-OD2 3.28Å; K477-D606 WeakPolarHBondContact CD-OD2 3.47Å; K477-D606 VanDerWaalsContact CE-OD2 3.24Å; K477-D606 WeakPolarHBondContact CE-OD2 3.22Å; K477-D606 IonicContact NZ-OD1 3.46Å; K477-D606 PolarHBondContact NZ-OD1 2.91Å; K477-D606 IonicContact NZ-OD2 2.73Å; K477-D606 PolarHBondContact NZ-OD2 2.94Å; L571-D606 HydrophobicContact CD1-CB 3.94Å; V600-D606 VanDerWaalsContact CA-OD2 3.3Å; V600-D606 WeakPolarHBondContact CA-OD2 3.46Å; V600-D606 HydrophobicContact CB-CB 4.14Å; A601-D606 PolarHBondContact N-OD2 3.47Å; T604-D606 PolarHBondContact O-N 3.34Å; T604-D606 VanDerWaalsContact O-N 3.09Å; T604-D606 WeakPolarHBondContact OG1-CB 3.35Å; T604-D606 PolarHBondContact OG1-N 3.29Å; D606-Q608 PolarHBondContact O-N 3.29Å; D606-L609 PolarHBondContact O-N 3.28Å; D606-W610 WeakPolarHBondContact O-CB 3.49Å; D606-W610 PolarHBondContact O-N 3.38Å
607	D	89.4	Confident	88.8	Confident	58 Å²	58	37.2 Å²	37.2	31%	0.31	17%	0.174	S	C	.	.	H	α-helix	trans	-60.2	-38.7	179.8	-69.7	-24.8	0	0	0	111.3	K602 G603 T604 A605 V611	K602-D607 WeakPolarHBondContact CA-OD1 3.39Å; G603-D607 VanDerWaalsContact CA-OD2 3.3Å; G603-D607 WeakPolarHBondContact CA-OD2 3.25Å; G603-D607 PolarHBondContact N-OD2 2.68Å; T604-D607 PolarHBondContact O-N 3.46Å; A605-D607 PolarHBondContact O-N 3.36Å; D607-V611 VanDerWaalsContact O-CG2 3.25Å; D607-V611 WeakPolarHBondContact O-CG2 3.3Å
608	Q	86.1	Confident	87.9	Confident	82 Å²	82	38.5 Å²	38.5	38%	0.383	18%	0.18	S	C	.	.	H	α-helix	trans	-81.5	-43.7	179.2	-60.3	-61.5	-34	0	0	111.2	Y456 A605 D606 W610 V611 M612	Y456-Q608 HydrophobicContact CE1-CG 4.04Å; A605-Q608 PolarHBondContact O-N 2.96Å; D606-Q608 PolarHBondContact O-N 3.29Å; Q608-W610 PolarHBondContact O-N 2.8Å; Q608-V611 PolarHBondContact O-N 2.94Å; Q608-M612 WeakPolarHBondContact O-CB 3.3Å; Q608-M612 PolarHBondContact O-N 3.07Å
609	L	89.7	Confident	87.1	Confident	5 Å²	5	43.4 Å²	43.4	3%	0.026	21%	0.205	C	C	.	.	H	α-helix	trans	-62.8	-41.5	179.7	-72.4	173.6	0	0	0	111.9	L466 Y470 L571 W573 A605 D606 M612 L613	L466-L609 HydrophobicContact CD1-CD2 4.43Å; L466-L609 HydrophobicContact CD2-CD2 4.03Å; Y470-L609 HydrophobicContact CD2-CD1 3.85Å; Y470-L609 HydrophobicContact CE2-CD1 4.1Å; L571-L609 HydrophobicContact CB-CB 4.31Å; L571-L609 HydrophobicContact CB-CD1 4.16Å; L571-L609 HydrophobicContact CD1-CB 3.96Å; W573-L609 HydrophobicContact CB-CD2 3.93Å; A605-L609 HydrophobicContact CB-CD1 4.26Å; A605-L609 WeakPolarHBondContact O-CB 3.43Å; A605-L609 WeakPolarHBondContact O-CG 3.36Å; A605-L609 PolarHBondContact O-N 3.18Å; D606-L609 PolarHBondContact O-N 3.28Å; L609-M612 PolarHBondContact O-N 3.23Å; L609-L613 VanDerWaalsContact O-CB 3.22Å; L609-L613 WeakPolarHBondContact O-CB 3.48Å; L609-L613 PolarHBondContact O-N 3.41Å
610	W	89.9	Confident	85.8	Confident	31 Å²	31	46 Å²	46	12%	0.117	22%	0.219	C	C	.	.	H	α-helix	trans	-67.4	-43.6	-178.8	-170.8	-124	0	0	0	111.9	T434 L571 Y598 D606 Q608 M612 L613 K614 F630	T434-W610 WeakPolarHBondContact OG1-CZ2 3.49Å; L571-W610 HydrophobicContact CD1-CB 4.03Å; L571-W610 HydrophobicContact CD1-CE3 4.1Å; L571-W610 HydrophobicContact CD2-CE3 3.94Å; L571-W610 HydrophobicContact CD2-CZ3 4.19Å; Y598-W610 HydrophobicContact CD1-CZ3 4.16Å; Y598-W610 AromaticContact CD2-CH2 3.84Å; Y598-W610 HydrophobicContact CD2-CH2 3.84Å; Y598-W610 AromaticContact CD2-CZ3 3.87Å; Y598-W610 HydrophobicContact CD2-CZ3 3.87Å; Y598-W610 HydrophobicContact CE2-CH2 4.47Å; Y598-W610 HydrophobicContact CE2-CZ3 4.44Å; Y598-W610 HydrophobicContact CG-CH2 4.08Å; Y598-W610 AromaticContact CG-CZ3 3.69Å; Y598-W610 HydrophobicContact CG-CZ3 3.69Å; D606-W610 WeakPolarHBondContact O-CB 3.49Å; D606-W610 PolarHBondContact O-N 3.38Å; Q608-W610 PolarHBondContact O-N 2.8Å; W610-M612 VanDerWaalsContact C-N 3.34Å; W610-M612 PolarHBondContact O-N 2.63Å; W610-L613 HydrophobicContact CE3-CD2 3.91Å; W610-L613 HydrophobicContact CZ3-CD2 3.75Å; W610-L613 PolarHBondContact O-N 3.34Å; W610-K614 WeakPolarHBondContact O-CG 3.15Å; W610-K614 PolarHBondContact O-N 3.09Å; W610-F630 HydrophobicContact CH2-CE1 4.22Å; W610-F630 HydrophobicContact CH2-CZ 4.49Å; W610-F630 HydrophobicContact CZ2-CE1 4.45Å
611	V	87.4	Confident	84.5	Confident	78 Å²	78	48 Å²	48	47%	0.473	23%	0.227	S	C	.	.	H	α-helix	trans	-62.1	-43.6	174.6	171.8	0	0	0	0	111	D607 Q608 L613 R615	D607-V611 VanDerWaalsContact O-CG2 3.25Å; D607-V611 WeakPolarHBondContact O-CG2 3.3Å; Q608-V611 PolarHBondContact O-N 2.94Å; V611-L613 VanDerWaalsContact C-N 3.34Å; V611-R615 WeakPolarHBondContact O-CB 3.4Å; V611-R615 PolarHBondContact O-N 3.03Å; V611-R615 VanDerWaalsContact O-N 3.1Å
612	M	85.6	Confident	83.4	Confident	62 Å²	62	56.6 Å²	56.6	31%	0.305	26%	0.264	S	S	.	.	H	α-helix	trans	-61.8	-43.6	175.4	-174.8	-174.8	-60.4	0	0	111.5	Q608 L609 W610 R615 K616	Q608-M612 WeakPolarHBondContact O-CB 3.3Å; Q608-M612 PolarHBondContact O-N 3.07Å; L609-M612 PolarHBondContact O-N 3.23Å; W610-M612 VanDerWaalsContact C-N 3.34Å; W610-M612 PolarHBondContact O-N 2.63Å; M612-R615 PolarHBondContact O-N 2.9Å; M612-K616 HydrophobicContact CG-CD 4.21Å; M612-K616 WeakPolarHBondContact O-CG 3.13Å; M612-K616 PolarHBondContact O-N 3.32Å
613	L	86.8	Confident	81.9	Confident	6 Å²	6	55 Å²	55	3%	0.031	27%	0.272	C	S	.	.	H	α-helix	trans	-64.2	-49.4	-178.9	-177.4	60.9	0	0	0	111.2	P575 L578 Y598 L609 W610 V611 R615 K616 L617	P575-L613 HydrophobicContact CB-CD1 3.71Å; L578-L613 HydrophobicContact CD1-CD1 3.69Å; L578-L613 HydrophobicContact CD1-CD2 3.52Å; L578-L613 HydrophobicContact CD1-CG 4.27Å; Y598-L613 HydrophobicContact CE1-CD2 4.49Å; L609-L613 VanDerWaalsContact O-CB 3.22Å; L609-L613 WeakPolarHBondContact O-CB 3.48Å; L609-L613 PolarHBondContact O-N 3.41Å; W610-L613 HydrophobicContact CE3-CD2 3.91Å; W610-L613 HydrophobicContact CZ3-CD2 3.75Å; W610-L613 PolarHBondContact O-N 3.34Å; V611-L613 VanDerWaalsContact C-N 3.34Å; L613-R615 VanDerWaalsContact C-N 3.31Å; L613-R615 PolarHBondContact O-N 3.07Å; L613-K616 PolarHBondContact O-N 2.91Å; L613-L617 HydrophobicContact CD1-CD1 3.74Å; L613-L617 HydrophobicContact CD1-CG 4.08Å; L613-L617 HydrophobicContact CD2-CD1 4.4Å; L613-L617 HydrophobicContact CG-CD1 3.67Å; L613-L617 HydrophobicContact CG-CG 4.38Å; L613-L617 WeakPolarHBondContact O-CB 3.32Å; L613-L617 VanDerWaalsContact O-CG 3.27Å; L613-L617 WeakPolarHBondContact O-CG 3.08Å; L613-L617 PolarHBondContact O-N 3.27Å
614	K	84.3	Confident	80.3	Confident	76 Å²	76	57.7 Å²	57.7	33%	0.33	30%	0.299	S	S	.	.	H	α-helix	trans	-53.9	-48.6	174.5	-74.5	-165.6	-175.7	-168.8	0	111.3	W610 K616 L617 E618	W610-K614 WeakPolarHBondContact O-CG 3.15Å; W610-K614 PolarHBondContact O-N 3.09Å; K614-K616 PolarHBondContact O-N 3.03Å; K614-L617 PolarHBondContact O-N 2.73Å; K614-E618 WeakPolarHBondContact O-CB 3.34Å; K614-E618 WeakPolarHBondContact O-CG 3.46Å; K614-E618 PolarHBondContact O-N 2.74Å
615	R	84.1	Confident	78.4	Confident	169 Å²	169	64.8 Å²	64.8	64%	0.638	34%	0.336	S	S	*	.	H	α-helix	trans	-60.3	-46.3	179.6	-167.9	-173.6	-52.7	-164.5	2.3	112.2	V611 M612 L613 E618 I619	V611-R615 WeakPolarHBondContact O-CB 3.4Å; V611-R615 PolarHBondContact O-N 3.03Å; V611-R615 VanDerWaalsContact O-N 3.1Å; M612-R615 PolarHBondContact O-N 2.9Å; L613-R615 VanDerWaalsContact C-N 3.31Å; L613-R615 PolarHBondContact O-N 3.07Å; R615-E618 PolarHBondContact O-N 3.49Å; R615-I619 HydrophobicContact CG-CD1 4.2Å; R615-I619 VanDerWaalsContact O-CG1 3.27Å; R615-I619 WeakPolarHBondContact O-CG1 3.46Å; R615-I619 PolarHBondContact O-N 3.3Å
616	K	82.4	Confident	76.1	Confident	74 Å²	74	66 Å²	66	32%	0.322	34%	0.344	S	S	.	.	H	α-helix	trans	-67.4	-37.9	-179.9	-70.1	-179.8	-178.5	177.8	0	112.2	W573 P575 M612 L613 K614 I619 L620	W573-K616 PolarHBondContact O-NZ 2.99Å; P575-K616 HydrophobicContact CB-CB 4.41Å; P575-K616 HydrophobicContact CG-CB 3.86Å; P575-K616 HydrophobicContact CG-CD 3.83Å; P575-K616 HydrophobicContact CG-CG 4.49Å; M612-K616 HydrophobicContact CG-CD 4.21Å; M612-K616 WeakPolarHBondContact O-CG 3.13Å; M612-K616 PolarHBondContact O-N 3.32Å; L613-K616 PolarHBondContact O-N 2.91Å; K614-K616 PolarHBondContact O-N 3.03Å; K616-I619 PolarHBondContact O-N 3.35Å; K616-L620 WeakPolarHBondContact O-CG 3.36Å; K616-L620 PolarHBondContact O-N 2.91Å
617	L	75.5	Confident	73.7	Confident	13 Å²	13	70.2 Å²	70.2	7%	0.068	39%	0.389	C	S	.	.	H	α-helix	trans	-66.6	-41.4	176.2	-68.5	171.1	0	0	0	111.2	P575 I579 L613 K614 I619 L620 K621 F630	P575-L617 HydrophobicContact CB-CD2 3.9Å; P575-L617 HydrophobicContact CB-CG 4.29Å; I579-L617 HydrophobicContact CD1-CD2 3.63Å; I579-L617 HydrophobicContact CG1-CD2 4Å; L613-L617 HydrophobicContact CD1-CD1 3.74Å; L613-L617 HydrophobicContact CD1-CG 4.08Å; L613-L617 HydrophobicContact CD2-CD1 4.4Å; L613-L617 HydrophobicContact CG-CD1 3.67Å; L613-L617 HydrophobicContact CG-CG 4.38Å; L613-L617 WeakPolarHBondContact O-CB 3.32Å; L613-L617 VanDerWaalsContact O-CG 3.27Å; L613-L617 WeakPolarHBondContact O-CG 3.08Å; L613-L617 PolarHBondContact O-N 3.27Å; K614-L617 PolarHBondContact O-N 2.73Å; L617-I619 VanDerWaalsContact C-N 3.33Å; L617-I619 PolarHBondContact O-N 3Å; L617-L620 HydrophobicContact CD2-CD1 4.38Å; L617-L620 PolarHBondContact O-N 3.28Å; L617-K621 WeakPolarHBondContact O-CB 3.36Å; L617-K621 PolarHBondContact O-N 3.27Å; L617-F630 HydrophobicContact CB-CD2 4.47Å; L617-F630 HydrophobicContact CB-CE2 4.13Å; L617-F630 HydrophobicContact CD1-CD2 4.45Å; L617-F630 HydrophobicContact CD1-CE2 3.39Å; L617-F630 HydrophobicContact CD1-CZ 3.83Å; L617-F630 HydrophobicContact CG-CE2 4.31Å
618	E	76.4	Confident	71.8	Confident	42 Å²	42	69.8 Å²	69.8	20%	0.196	39%	0.385	C	S	.	.	H	α-helix	trans	-64.8	-33	173.6	-73.6	-59.7	122.2	0	0	113	K614 R615 K621 K622	K614-E618 WeakPolarHBondContact O-CB 3.34Å; K614-E618 WeakPolarHBondContact O-CG 3.46Å; K614-E618 PolarHBondContact O-N 2.74Å; R615-E618 PolarHBondContact O-N 3.49Å; E618-K621 WeakPolarHBondContact O-CB 3.48Å; E618-K621 IonicContact OE1-NZ 2.78Å; E618-K621 PolarHBondContact OE1-NZ 3.22Å; E618-K621 VanDerWaalsContact OE1-NZ 3.12Å; E618-K621 WeakPolarHBondContact OE2-CD 3.47Å; E618-K621 IonicContact OE2-NZ 2.66Å; E618-K621 PolarHBondContact OE2-NZ 3.07Å; E618-K622 WeakPolarHBondContact O-CG 3.37Å; E618-K622 PolarHBondContact O-N 3.36Å
619	I	78.4	Confident	69.5	Low	103 Å²	103	69.1 Å²	69.1	53%	0.528	39%	0.389	S	S	.	.	H	α-helix	trans	-67.9	-45.9	173.1	-68.6	163.4	0	0	0	111.2	R615 K616 L617 K621 K622 G623	R615-I619 HydrophobicContact CG-CD1 4.2Å; R615-I619 VanDerWaalsContact O-CG1 3.27Å; R615-I619 WeakPolarHBondContact O-CG1 3.46Å; R615-I619 PolarHBondContact O-N 3.3Å; K616-I619 PolarHBondContact O-N 3.35Å; L617-I619 VanDerWaalsContact C-N 3.33Å; L617-I619 PolarHBondContact O-N 3Å; I619-K621 PolarHBondContact O-N 3.2Å; I619-K622 PolarHBondContact O-N 3.21Å; I619-G623 PolarHBondContact O-N 2.64Å
620	L	68.4	Low	67.2	Low	55 Å²	55	70.8 Å²	70.8	29%	0.288	40%	0.396	S	S	.	.	H	α-helix	trans	-59.3	-36.1	176.9	-72.2	170.5	0	0	0	111.9	P575 I579 K616 L617 L625 S626	P575-L620 HydrophobicContact CB-CD1 4.39Å; P575-L620 HydrophobicContact CG-CD1 4.38Å; I579-L620 HydrophobicContact CD1-CD1 4.01Å; K616-L620 WeakPolarHBondContact O-CG 3.36Å; K616-L620 PolarHBondContact O-N 2.91Å; L617-L620 HydrophobicContact CD2-CD1 4.38Å; L617-L620 PolarHBondContact O-N 3.28Å; L620-L625 PolarHBondContact O-N 3.09Å; L620-S626 WeakPolarHBondContact CB-OG 3.39Å; L620-S626 PolarHBondContact O-N 2.85Å; L620-S626 PolarHBondContact O-OG 3.44Å
621	K	66.3	Low	64.6	Low	53 Å²	53	74 Å²	74	23%	0.23	42%	0.419	C	S	.	.	H	α-helix	trans	-64.7	-50.8	172.4	174.3	-170	174	-170.8	0	112.3	L617 E618 I619 G623 G624 S626 S629	L617-K621 WeakPolarHBondContact O-CB 3.36Å; L617-K621 PolarHBondContact O-N 3.27Å; E618-K621 WeakPolarHBondContact O-CB 3.48Å; E618-K621 IonicContact OE1-NZ 2.78Å; E618-K621 PolarHBondContact OE1-NZ 3.22Å; E618-K621 VanDerWaalsContact OE1-NZ 3.12Å; E618-K621 WeakPolarHBondContact OE2-CD 3.47Å; E618-K621 IonicContact OE2-NZ 2.66Å; E618-K621 PolarHBondContact OE2-NZ 3.07Å; I619-K621 PolarHBondContact O-N 3.2Å; K621-G623 PolarHBondContact O-N 3.37Å; K621-G624 PolarHBondContact O-N 3.45Å; K621-S626 PolarHBondContact N-OG 2.95Å; K621-S626 VanDerWaalsContact N-OG 3.16Å; K621-S629 WeakPolarHBondContact CE-OG 3.38Å
622	K	69.9	Low	62	Low	182 Å²	182	73 Å²	73	79%	0.791	42%	0.419	S	S	*	.	H	α-helix	trans	-60.4	-31.5	176.3	-75.1	-179.2	-178.5	-176.6	0	112.9	E618 I619 G624	E618-K622 WeakPolarHBondContact O-CG 3.37Å; E618-K622 PolarHBondContact O-N 3.36Å; I619-K622 PolarHBondContact O-N 3.21Å; K622-G624 PolarHBondContact O-N 2.78Å
623	G	58.5	Low	59.4	Low	52 Å²	52	72.9 Å²	72.9	54%	0.536	42%	0.422	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.7	-1.4	176.3	0	0	0	0	0	115.2	I619 K621 L625	I619-G623 PolarHBondContact O-N 2.64Å; K621-G623 PolarHBondContact O-N 3.37Å; G623-L625 PolarHBondContact O-N 3.39Å; G623-L625 VanDerWaalsContact O-N 3.16Å
624	G	52.8	Low	56.5	Low	66 Å²	66	76.2 Å²	76.2	68%	0.68	44%	0.44	S	S	*	.	T	Hydrogen-bonded Turn	trans	68.5	7.6	-178.1	0	0	0	0	0	114.7	K621 K622	K621-G624 PolarHBondContact O-N 3.45Å; K622-G624 PolarHBondContact O-N 2.78Å
625	L	50.1	Low	53.7	Low	151 Å²	151	79.8 Å²	79.8	79%	0.791	46%	0.463	S	S	*	.	S	Bend	trans	-88.1	-18.9	-176.8	-67.8	170.5	0	0	0	112.7	L620 G623	L620-L625 PolarHBondContact O-N 3.09Å; G623-L625 PolarHBondContact O-N 3.39Å; G623-L625 VanDerWaalsContact O-N 3.16Å
626	S	43.9	Very low	50.8	Low	25 Å²	25	76.7 Å²	76.7	18%	0.175	47%	0.474	C	S	.	.			trans	-128.2	113.8	170.4	59.4	0	0	0	0	109.4	L620 K621 E628	L620-S626 WeakPolarHBondContact CB-OG 3.39Å; L620-S626 PolarHBondContact O-N 2.85Å; L620-S626 PolarHBondContact O-OG 3.44Å; K621-S626 PolarHBondContact N-OG 2.95Å; K621-S626 VanDerWaalsContact N-OG 3.16Å; S626-E628 PolarHBondContact O-N 3.35Å
627	G	42.3	Very low	48	Very low	91 Å²	91	79 Å²	79	94%	0.938	49%	0.494	S	S	*	.			trans	-71.7	27.3	178.3	0	0	0	0	0	114.9
628	E	49.2	Very low	45.5	Very low	50 Å²	50	83.8 Å²	83.8	23%	0.234	53%	0.528	C	S	.	.			trans	-128.7	124.2	-165.7	-59.4	-176.6	-175.6	0	0	111.8	K430 R432 S626	K430-E628 IonicContact NZ-OE1 3.51Å; K430-E628 PolarHBondContact NZ-OE1 3.02Å; K430-E628 IonicContact NZ-OE2 2.67Å; R432-E628 IonicContact CZ-OE2 3.51Å; R432-E628 IonicContact NH1-OE2 3.59Å; R432-E628 PolarHBondContact NH1-OE2 3.46Å; R432-E628 IonicContact NH2-OE2 3.37Å; R432-E628 PolarHBondContact NH2-OE2 3.2Å; S626-E628 PolarHBondContact O-N 3.35Å
629	S	38	Very low	43	Very low	68 Å²	68	87.4 Å²	87.4	48%	0.476	56%	0.555	S	S	.	*			trans	-91.3	145.3	174.8	-67.1	0	0	0	0	112.2	K621	K621-S629 WeakPolarHBondContact CE-OG 3.38Å
630	F	41.3	Very low	40.3	Very low	40 Å²	40	88.9 Å²	88.9	18%	0.175	57%	0.574	C	S	.	*			trans	-85.5	107.6	143.9	-80.2	-101	0	0	0	107.4	R432 W610 L617	R432-F630 HydrophobicContact CB-CD1 4.35Å; R432-F630 HydrophobicContact CB-CE1 3.59Å; R432-F630 HydrophobicContact CB-CZ 3.95Å; R432-F630 HydrophobicContact CG-CE1 4.3Å; R432-F630 HydrophobicContact CG-CZ 4.17Å; W610-F630 HydrophobicContact CH2-CE1 4.22Å; W610-F630 HydrophobicContact CH2-CZ 4.49Å; W610-F630 HydrophobicContact CZ2-CE1 4.45Å; L617-F630 HydrophobicContact CB-CD2 4.47Å; L617-F630 HydrophobicContact CB-CE2 4.13Å; L617-F630 HydrophobicContact CD1-CD2 4.45Å; L617-F630 HydrophobicContact CD1-CE2 3.39Å; L617-F630 HydrophobicContact CD1-CZ 3.83Å; L617-F630 HydrophobicContact CG-CE2 4.31Å
631	T	34.8	Very low	38.1	Very low	97 Å²	97	92.4 Å²	92.4	60%	0.595	60%	0.598	S	S	*	*			trans	-137.3	93.6	163.1	48.4	0	0	0	0	109.1
632	A	32.1	Very low	36.1	Very low	57 Å²	57	94.6 Å²	94.6	47%	0.471	62%	0.62	S	S	.	*	S	Bend	trans	-141.3	18.2	132	0	0	0	0	0	111.4	R200	R200-A632 PolarHBondContact NE-O 3.18Å; R200-A632 PolarHBondContact NH1-O 2.93Å
633	T	31.9	Very low	33.9	Very low	60 Å²	60	94 Å²	94	37%	0.368	63%	0.625	S	S	.	*	S	Bend	trans	-147.4	51.6	179.5	-30.2	0	0	0	0	111.7	E264	E264-T633 HydrophobicContact CG-CG2 3.77Å; E264-T633 VanDerWaalsContact OE1-CB 3.24Å; E264-T633 WeakPolarHBondContact OE1-CB 3.29Å; E264-T633 WeakPolarHBondContact OE1-CG2 3.23Å; E264-T633 PolarHBondContact OE1-OG1 3.1Å
634	D	25.6	Very low	32.3	Very low	76 Å²	76	96.7 Å²	96.7	41%	0.406	64%	0.642	S	S	.	*			trans	-119.8	109.1	173.5	-85.3	-11.2	0	0	0	109.9
635	N	26.1	Very low	30.9	Very low	151 Å²	151	97.6 Å²	97.6	81%	0.807	64%	0.644	S	S	*	*				169.7	89.6	116	-82.3	-18.9	0	0	0	111.3
636	A	23.8	Very low	29.7	Very low	105 Å²	105	97.8 Å²	97.8	87%	0.868	65%	0.645	S	S	*	*			trans	-151.9	75.4	148.6	0	0	0	0	0	107.8
637	T	23.2	Very low	28.8	Very low	122 Å²	122	106.2 Å²	106.2	75%	0.748	68%	0.679	S	S	*	*			trans	-107	114.7	173.1	-45.4	0	0	0	0	109
638	S	22.6	Very low	27.9	Very low	113 Å²	113	109.5 Å²	109.5	79%	0.79	68%	0.675	S	S	*	*			trans	-91	135.4	154.3	-64.2	0	0	0	0	108.6
639	P	24.3	Very low	26.7	Very low	118 Å²	118	114.8 Å²	114.8	77%	0.766	71%	0.705	S	S	*	*			trans	-85.3	132.9	-170.2	31.8	-31.4	0	0	0	111.8
640	C	22.2	Very low	26.1	Very low	135 Å²	135	119.6 Å²	119.6	91%	0.912	72%	0.722	S	S	*	*			trans	-124.1	136.4	161.6	-78.5	0	0	0	0	110.4
641	T	22.1	Very low	25.3	Very low	129 Å²	129	126.6 Å²	126.6	79%	0.791	76%	0.755	S	S	*	*			trans	-80.2	154.2	-160.2	41.7	0	0	0	0	115.1
642	S	23.7	Very low	24.7	Very low	99 Å²	99	131.8 Å²	131.8	69%	0.692	77%	0.769	S	S	*	*			trans	13.9	118.4	154.1	57.2	0	0	0	0	119.4
643	D	24.2	Very low	24.3	Very low	168 Å²	168	134.3 Å²	134.3	90%	0.898	78%	0.784	S	S	*	*				-171.2	83.5	127.9	-87	-20.6	0	0	0	107.8
644	A	24.3	Very low	24.1	Very low	109 Å²	109	142.8 Å²	142.8	90%	0.901	81%	0.809	S	S	*	*			trans	-129	65.1	-179.5	0	0	0	0	0	109.8
645	A	24	Very low	23.9	Very low	86 Å²	86	147.6 Å²	147.6	71%	0.711	83%	0.833	S	S	*	*			trans	-148.5	137.9	163	0	0	0	0	0	107.7
646	N	23.3	Very low	23.8	Very low	154 Å²	154	144.9 Å²	144.9	82%	0.824	83%	0.831	S	S	*	*			trans	90	79.1	-178.7	-54	-23.7	0	0	0	116
647	F	25.5	Very low	23.8	Very low	203 Å²	203	149.5 Å²	149.5	89%	0.89	83%	0.832	S	S	*	*			trans	-156.1	46.9	147.8	-119.3	-79	0	0	0	112.7
648	D	24	Very low	23.9	Very low	160 Å²	160	155.6 Å²	155.6	86%	0.856	84%	0.841	S	S	*	*			trans	-114.6	92.2	163.6	-90.9	-26.8	0	0	0	108.1
649	N	24	Very low	24.1	Very low	161 Å²	161	157.9 Å²	157.9	86%	0.861	84%	0.844	S	S	*	*			trans	158	86.5	152.5	-86.3	-29	0	0	0	111
650	M	24.5	Very low	24.3	Very low	168 Å²	168	156.8 Å²	156.8	83%	0.828	85%	0.845	S	S	*	*			trans	-165.9	64.9	150.5	-119.4	173.1	72.8	0	0	111.8
651	H	24.3	Very low	24.6	Very low	188 Å²	188	153.9 Å²	153.9	87%	0.87	84%	0.838	S	S	*	*			trans	-114.4	99.6	163.2	-100.1	-44.8	0	0	0	109.1
652	K	23.4	Very low	25	Very low	206 Å²	206	157 Å²	157	90%	0.896	84%	0.844	S	S	*	*			trans	-169.3	121.3	150.2	-104.1	161.9	-169.8	-176.4	0	110.9
653	S	24.3	Very low	25.3	Very low	110 Å²	110	162.3 Å²	162.3	77%	0.769	85%	0.849	S	S	*	*			trans	76.6	107.8	154.5	-157.8	0	0	0	0	119.2
654	R	25.9	Very low	25.7	Very low	238 Å²	238	157.8 Å²	157.8	90%	0.898	83%	0.83	S	S	*	*				170.2	106.7	105.1	-89.2	179.9	176.7	177.3	-1	109.8
655	I	22.5	Very low	26.5	Very low	177 Å²	177	158.6 Å²	158.6	91%	0.908	82%	0.819	S	S	*	*			trans	-102.4	112.5	169	-64.8	173.6	0	0	0	107
656	A	24.3	Very low	27.1	Very low	94 Å²	94	160.2 Å²	160.2	78%	0.777	82%	0.815	S	S	*	*			trans	-133.9	112.5	165.4	0	0	0	0	0	109.4
657	K	22.4	Very low	28.1	Very low	202 Å²	202	158.5 Å²	158.5	88%	0.878	81%	0.806	S	S	*	*			trans	18.2	124.4	150.8	-62.4	178.9	177.8	-179.4	0	118.2
658	R	26.5	Very low	29.3	Very low	249 Å²	249	154.1 Å²	154.1	94%	0.94	79%	0.787	S	S	*	*			trans	-150.1	146.9	142.2	-108.4	174.2	-174.5	169.7	1.7	111.2
659	D	27.2	Very low	29.8	Very low	162 Å²	162	150.2 Å²	150.2	87%	0.866	77%	0.766	S	S	*	*			trans	-74.6	163.2	-150.4	-75.5	-56.2	0	0	0	117.8
660	A	27.2	Very low	30.6	Very low	94 Å²	94	148.1 Å²	148.1	78%	0.777	76%	0.758	S	S	*	*			trans	-67.7	133.7	177.2	0	0	0	0	0	113.2
661	G	29.2	Very low	31.4	Very low	75 Å²	75	145.3 Å²	145.3	77%	0.773	75%	0.753	S	S	*	*			trans	-134.5	82.8	155.9	0	0	0	0	0	108	R663	G661-R663 PolarHBondContact O-N 3.48Å
662	Q	29.8	Very low	31.9	Very low	194 Å²	194	145 Å²	145	91%	0.907	75%	0.752	S	S	*	*			trans	-72.9	106.4	175.9	-100.6	170.6	-42.2	0	0	109.2
663	R	30.5	Very low	32.7	Very low	210 Å²	210	141.9 Å²	141.9	79%	0.792	74%	0.741	S	S	*	*			trans	-76.6	135.7	161.6	-68.4	-173.2	-178.2	178.4	0.4	109	G661	G661-R663 PolarHBondContact O-N 3.48Å
664	S	32.3	Very low	33.4	Very low	74 Å²	74	139.2 Å²	139.2	52%	0.517	72%	0.719	S	S	.	*			trans	-75.9	150	-173.6	177.6	0	0	0	0	111.8	N666 D667	S664-N666 PolarHBondContact O-N 3.2Å; S664-D667 PolarHBondContact O-N 2.8Å
665	L	40.7	Very low	33.9	Very low	125 Å²	125	130.6 Å²	130.6	65%	0.654	70%	0.704	S	S	*	*	G	3₁₀ helix	trans	-53.5	-23.5	-177.6	-155.9	92.1	0	0	0	114.3	D667 F668	L665-D667 VanDerWaalsContact C-N 3.26Å; L665-D667 PolarHBondContact O-N 2.85Å; L665-F668 PolarHBondContact O-N 3.43Å
666	N	38.1	Very low	34.7	Very low	120 Å²	120	130 Å²	130	64%	0.642	70%	0.695	S	S	*	*	G	3₁₀ helix	trans	-69.2	-20.4	-176.7	-73.6	-7.3	0	0	0	113.7	S664 F668	S664-N666 PolarHBondContact O-N 3.2Å; N666-F668 PolarHBondContact O-N 3.45Å
667	D	43.3	Very low	35.3	Very low	118 Å²	118	131.1 Å²	131.1	63%	0.631	69%	0.688	S	S	*	*	G	3₁₀ helix	trans	-74.8	-7.1	179.9	-64.2	-19.6	0	0	0	113	S664 L665	S664-D667 PolarHBondContact O-N 2.8Å; L665-D667 VanDerWaalsContact C-N 3.26Å; L665-D667 PolarHBondContact O-N 2.85Å
668	F	51.6	Low	36.1	Very low	112 Å²	112	128.1 Å²	128.1	49%	0.491	68%	0.677	S	S	.	*	G	3₁₀ helix	trans	-111	-1.7	-170.8	-59.5	-79.8	0	0	0	114.7	L665 N666	L665-F668 PolarHBondContact O-N 3.43Å; N666-F668 PolarHBondContact O-N 3.45Å
669	L	33.3	Very low	36.9	Very low	77 Å²	77	120.4 Å²	120.4	40%	0.403	66%	0.661	S	S	.	*	S	Bend	trans	-96.7	132.7	-179.2	-69.1	170.3	0	0	0	111.3	V674	L669-V674 HydrophobicContact CB-CG2 4.22Å
670	V	40.8	Very low	37.6	Very low	117 Å²	117	121.5 Å²	121.5	71%	0.709	66%	0.658	S	S	*	*			trans	-62.1	135.1	173.7	-178.4	0	0	0	0	108.9	E672 E673	V670-E672 PolarHBondContact O-N 3.19Å; V670-E673 PolarHBondContact O-N 3.13Å
671	P	41.4	Very low	38.4	Very low	110 Å²	110	128.3 Å²	128.3	71%	0.714	66%	0.664	S	S	*	*	T	Hydrogen-bonded Turn	trans	-56	-22.7	-165.6	-29.2	34.9	0	0	0	117	E673	P671-E673 VanDerWaalsContact C-N 3.35Å; P671-E673 PolarHBondContact O-N 3.32Å
672	E	35.7	Very low	39	Very low	182 Å²	182	136.4 Å²	136.4	85%	0.85	68%	0.677	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.2	-8.4	-176.1	-76	-165.6	151.1	0	0	115.5	V670	V670-E672 PolarHBondContact O-N 3.19Å
673	E	38.8	Very low	39.5	Very low	140 Å²	140	133.5 Å²	133.5	65%	0.654	67%	0.666	S	S	*	*	T	Hydrogen-bonded Turn	trans	-102.5	-10.7	174.7	-69	-155.2	146.9	0	0	114.9	V670 P671 G675 K676	V670-E673 PolarHBondContact O-N 3.13Å; P671-E673 VanDerWaalsContact C-N 3.35Å; P671-E673 PolarHBondContact O-N 3.32Å; E673-G675 VanDerWaalsContact C-N 3.35Å; E673-G675 PolarHBondContact O-N 3.44Å; E673-K676 PolarHBondContact O-N 3.3Å
674	V	40.3	Very low	40	Very low	53 Å²	53	129.5 Å²	129.5	32%	0.321	66%	0.659	S	S	.	*	H	α-helix	trans	-69.7	-34.3	178	-176.3	0	0	0	0	111.3	L669 K676 L677 E678	L669-V674 HydrophobicContact CB-CG2 4.22Å; V674-K676 PolarHBondContact O-N 3.17Å; V674-K676 VanDerWaalsContact O-N 3.16Å; V674-L677 PolarHBondContact O-N 2.88Å; V674-E678 PolarHBondContact O-N 3.35Å
675	G	36.2	Very low	40.4	Very low	57 Å²	57	132.6 Å²	132.6	59%	0.588	67%	0.667	S	S	*	*	H	α-helix	trans	-65.3	-19.1	-179.5	0	0	0	0	0	115.4	E673	E673-G675 VanDerWaalsContact C-N 3.35Å; E673-G675 PolarHBondContact O-N 3.44Å
676	K	38.7	Very low	40.4	Very low	165 Å²	165	133 Å²	133	72%	0.717	67%	0.668	S	S	*	*	H	α-helix	trans	-91.2	-17.3	177.2	-76.7	178.8	-177.7	164.1	0	113.8	E673 V674	E673-K676 PolarHBondContact O-N 3.3Å; V674-K676 PolarHBondContact O-N 3.17Å; V674-K676 VanDerWaalsContact O-N 3.16Å
677	L	37	Very low	40.5	Very low	118 Å²	118	133.8 Å²	133.8	62%	0.618	67%	0.67	S	S	*	*	H	α-helix	trans	-86	-31.3	178.9	-90	149.8	0	0	0	112	V674	V674-L677 PolarHBondContact O-N 2.88Å
678	E	40.7	Very low	40.3	Very low	138 Å²	138	134.9 Å²	134.9	65%	0.645	67%	0.672	S	S	*	*	H	α-helix	trans	-75.2	-28.6	179.9	-68.2	-168	157.3	0	0	113.9	V674 K680 R681	V674-E678 PolarHBondContact O-N 3.35Å; E678-K680 PolarHBondContact O-N 3.24Å; E678-R681 PolarHBondContact O-N 3.03Å
679	S	42.3	Very low	39.5	Very low	87 Å²	87	136.5 Å²	136.5	61%	0.608	69%	0.685	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76	-5.8	178.1	68.4	0	0	0	0	114.8
680	K	41.7	Very low	40	Very low	185 Å²	185	141.1 Å²	141.1	80%	0.804	71%	0.707	S	S	*	*	T	Hydrogen-bonded Turn	trans	-104.5	-4.8	173.3	-80.6	-171.9	174.3	-176.8	0	114	E678	E678-K680 PolarHBondContact O-N 3.24Å
681	R	43.8	Very low	40	Very low	237 Å²	237	143.1 Å²	143.1	89%	0.894	71%	0.707	S	S	*	*	T	Hydrogen-bonded Turn	trans	-103.4	-16.6	176.9	-94.6	-174.2	170.8	-176.6	-2	113.8	E678	E678-R681 PolarHBondContact O-N 3.03Å
682	K	43.1	Very low	39.8	Very low	245 Å²	245	146.1 Å²	146.1	100%	1.065	71%	0.706	S	S	*	*			trans	-89	0	158.1	-71.3	-177.2	178.3	177.8	0	108.4

Retrieved 682 of 682 residues in 3768.5 ms (Link to these results)

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